UCSF

ZINC04097642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 20 Yes

CAS Number: 477-12-3

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) 1.45 -2.05 -40.13 2 4 1 43 272.324 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0320227A2; EP0320227B1; US4933399 IBM Patent Data

Activity (Go SEA)

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