UCSF

ZINC02038134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 11 Yes

CAS Number: 4074-43-5

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) 3.30 4.6 -5.32 1 1 0 20 150.221 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3970656; US4374661; US4401454; WO1981000852A1 IBM Patent Data

Activity (Go SEA)

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