UCSF

ZINC03860467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 25 Yes

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Annotations

Vendors

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) -0.13 3.73 -58.57 2 6 -1 107 345.371 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.95e+00 g/l DrugBank-experimental
Melting_Point 222? dec. Alfa-Aesar
Melting_Point 222° dec. Alfa-Aesar
Mp [°C] 227 Acros Organics
Purity 90% APIChem
UniProt Database Links ABAH3_ARATH; AGLU_HORVU; ALDR_HORVU; AMY1_ARATH; AMY1_HORVU; AMY1_ORYSJ; AMY2A_ORYSJ; AMY2_HORVU; AMY3A_ORYSJ; AMY3B_ORYSJ; AMY3C_ORYSJ; AMY3D_ORYSJ; AMY3E_ORYSJ; AMY3_HORVU; AMY3_WHEAT; AMY4_HORVU; AMY5_HORVU; AMY6_HORVU; AMYC1_ORYSJ; AOG_PHAAN; CAS1_GLY ChEBI
UniProt Database Links AGLU_HORVU; AOG_PHAAN; CAS1_GLYGL; CLH1_CITSI; G2OX1_ARATH; G2OX2_ARATH; GAMT1_ARATH; GAMT2_ARATH; LUPS_GLYGL; PPF1_PEA; STI_ARATH ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
mechanism Plant growth factor. IBScreen Bioactives
biological_use Plant growth regulator IBScreen Bioactives IBScreen Bioactives
biological_source Produced by Gibberella fujikuroi and present in higher plants ZereneX Building Blocks
R phrase R36: Irritating to eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
mechanism Stimulates the cells of germinating seeds to produce mRNA molecules that code for hydrolytic enzymes IBScreen Bioactives
biological_use Used as an experimental research mutagen IBScreen Bioactives
biological_use Used in malting of barley IBScreen Bioactives
PUBCHEM_PATENT_ID WO1999066029A2 IBM Patent Data
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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