UCSF

ZINC41672051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 0.68 1.71 -33.84 4 3 1 60 197.283 4
Mid Mid (pH 6-8) 0.68 0.72 -8.78 3 3 0 55 196.275 4

Activity (Go SEA)

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