UCSF

ZINC31903392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 0.89 7.65 -20.79 0 8 0 81 382.42 5
Mid Mid (pH 6-8) 0.89 7.88 -37.51 1 8 1 82 383.428 5

Activity (Go SEA)

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