UCSF

ZINC02031630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

CAS Number: 627-59-8

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) 1.97 2.47 -2.1 1 1 0 20 116.204 3

Activity (Go SEA)

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