UCSF

ZINC40403769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 24 Yes

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) 5.20 13.42 -47.55 1 3 1 22 348.942 7
Lo Low (pH 4.5-6) 5.20 13.88 -90.83 2 3 2 24 349.95 7

Activity (Go SEA)

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