UCSF

ZINC41685208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.39 4.21 -53.66 3 6 1 85 272.35 8
Mid Mid (pH 6-8) 0.21 2.97 -42.05 2 6 0 91 271.342 8
Mid Mid (pH 6-8) 0.39 2.87 -10.96 2 6 0 80 271.342 8

Activity (Go SEA)

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