UCSF

ZINC42430725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 0.50 5.52 -81.63 4 5 1 83 224.284 7
Mid Mid (pH 6-8) 0.50 5.16 -62.37 3 5 0 82 223.276 7

Activity (Go SEA)

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