UCSF

ZINC44675851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 17 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) 2.29 7.1 -121.39 5 2 2 44 234.387 6
Mid Mid (pH 6-8) 2.29 6.7 -32.82 4 2 1 43 233.379 6

Activity (Go SEA)

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