UCSF

ZINC00436616

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

CAS Number: 92-05-7

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) 2.76 -1.81 -6.08 2 2 0 40 186.21 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.26e-01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0289506A1; WO1988003800A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1995021613A1 IBM Patent Data

Activity (Go SEA)

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