UCSF

ZINC40406510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 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) 7.32 16.46 -51.09 1 3 1 22 405.05 11
Lo Low (pH 4.5-6) 7.32 16.97 -96.3 2 3 2 24 406.058 11

Activity (Go SEA)

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