UCSF

ZINC42409685

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 11 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) -0.10 1.63 -104.5 4 3 2 41 162.277 7
Mid Mid (pH 6-8) -0.10 -0.53 -37.69 3 3 1 40 161.269 7

Activity (Go SEA)

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