UCSF

ZINC42460214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.70 5.4 -40.63 1 5 0 67 210.233 5
Mid Mid (pH 6-8) 0.70 5.24 -52.53 0 5 -1 65 209.225 5

Activity (Go SEA)

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