UCSF

ZINC00402670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 No

CAS Number: 1162-65-8

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) 1.48 0.94 -22.19 0 6 0 74 312.277 1

Vendor Notes

Note Type Comments Provided By
Notes Hepatocarcinogen Apollo Scientific Bioactives

Activity (Go SEA)

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