UCSF

ZINC39377725

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 18 Yes

CAS Number: 81948-56-3

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) 3.95 8.91 -8.45 0 3 0 36 242.274 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000055153A1 IBM Patent Data

Activity (Go SEA)

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