UCSF

ZINC13525413

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 10 Yes

CAS Number: 624-48-6

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) 0.42 2.56 -100.02 0 4 -2 80 142.11 2

Activity (Go SEA)

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