UCSF

ZINC87515342

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 0 Yes

Popular Name: Basic blue 9 Basic blue 9

Find On: PubMed — Wikipedia — Google

CAS Numbers: 122965-43-9 , 37247-10-2 , 61-73-4 , 7220-79-3 , [61-73-4]

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

Vendor Notes

Note Type Comments Provided By
Mp [°C] 100 - 110 Acros Organics
Mp [°C] 190 Acros Organics
ALOGPS_SOLUBILITY 3.76e-01 g/l DrugBank-experimental
Melting_Point ca 180? dec. Alfa-Aesar
Melting_Point ca 180° dec. Alfa-Aesar
Patent Database Links EP1008600; EP1637547; EP1652528; EP1655040; EP1707225; EP1764404; US2005142542; US2005214807; US2006002850; US2006142592; US2007191475; US2007253928; US2007254018; US2007258996; US2007269518; WO2006032879; WO2006036885; WO2006037125; WO2006097472; WO20071 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
UniProt Database Links HCNA_PSEAE; HCNB_PSEAE; HCNC_PSEAE; HYD1A_PYRFU; HYD1D_PYRFU; NOX_THET8; SNZ1_YEAST; SUDHA_PYRFU; SUDHB_PYRFU ChEBI
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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

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