UCSF

ZINC40525629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 10 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) 1.00 2.94 -102.04 4 2 2 32 142.246 0
Mid Mid (pH 6-8) 1.00 2.69 -31.05 3 2 1 30 141.238 0

Activity (Go SEA)

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