UCSF

ZINC31933601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 0.63 2.98 -58.61 1 7 -1 95 292.315 6
Mid Mid (pH 6-8) 0.63 3.27 -75.38 2 7 0 96 293.323 6

Activity (Go SEA)

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