UCSF

ZINC43994065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 0.20 4.41 -42.89 2 3 1 34 154.237 3
Mid Mid (pH 6-8) 0.20 4.89 -92.41 3 3 2 36 155.245 3

Activity (Go SEA)

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