UCSF

ZINC42455640

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.28 2.25 -92.19 6 5 2 88 252.362 5
Mid Mid (pH 6-8) 0.28 1.81 -44.31 5 5 1 87 251.354 5

Activity (Go SEA)

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