UCSF

ZINC08034120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 5 No

Popular Name: Hydroxyurea Hydroxyurea

Find On: PubMed — Wikipedia — Google

CAS Number: 127-07-1

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.94 -4.28 -13.32 4 4 0 75 76.055 0 ↓
Hi High (pH 8-9.5) -0.94 -3.07 -51.8 3 4 -1 78 75.047 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 142 - 146 Acros Organics
ALOGPS_SOLUBILITY 2.69e+02 g/l DrugBank-approved
UniProt Database Links ADA2_SCHPO; CDC25_ARATH; CDKA1_ARATH; CE164_HUMAN; CKB21_ORYSJ; CRT10_YEAST; CTK1_YEAST; CTK2_YEAST; CTK3_YEAST; DCSB_STRLA; DCSD_STRLA; DIN7_YEAST; DPOD2_YEAST; DSF2_YEAST; EFG1P_YEAS7; EFG1P_YEAST; EXO1_HUMAN; GENL2_ORYSJ; GET2_YEAS1; GET2_YEAS7; GET2_Y ChEBI
Notes Anti-neoplastic. Inactivates ribonucleoside reductase byformation of free radical nitroxide. This blocks synthesisof deoxynucleotides which inhibits DNA synthesis Apollo Scientific Bioactives
Therapy antineoplastic, inhibits ribonucleoside diphosphate reductase SMDC Iconix
Melting_Point ca 140? dec. Alfa-Aesar
Melting_Point ca 140° dec. Alfa-Aesar
Patent Database Links EP0949259; EP1013276; EP1110552; EP1422218; EP1498127; EP1502604; EP1523982; EP1537858; EP1538164; EP1552841; EP1568379; EP1574499; EP1580188; EP1584682; EP1591444; EP1611879; EP1616564; EP1621077; EP1632479; EP1659111; EP1712239; EP1717247; EP1719527; EP ChEBI
H phrase H340: May cause genetic defects Acros Organics
H phrase H340: May cause genetic defects; H360D: May damage the unborn child Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
R phrase R46: May cause heritable genetic damage. Acros Organics
R phrase R46: May cause heritable genetic damage.; R61: May cause harm to the unborn child. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics
PUBCHEM_PATENT_ID WO1994027999A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.