UCSF

ZINC43416466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 0.71 5.85 -10.53 0 3 0 51 193.294 6
Mid Mid (pH 6-8) 0.71 6.97 -52.61 1 3 1 52 194.302 6

Activity (Go SEA)

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