UCSF

ZINC44675497

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 19 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) 4.40 8.96 -2.59 1 1 0 12 271.429 5
Mid Mid (pH 6-8) 4.40 10.53 -35.68 2 1 1 17 272.437 5

Activity (Go SEA)

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