UCSF

ZINC31977412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.39 7.12 -85.53 2 5 0 74 270.373 7
Mid Mid (pH 6-8) 1.39 5.99 -47.03 3 5 1 71 271.381 7

Activity (Go SEA)

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