UCSF

ZINC58418510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 17 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) -0.09 8.62 -57.36 2 5 1 72 236.295 3
Mid Mid (pH 6-8) -0.09 7.77 -48.4 0 5 -1 69 234.279 3
Mid Mid (pH 6-8) -0.09 7.96 -35.79 1 5 0 70 235.287 3
Mid Mid (pH 6-8) -0.09 8.42 -43.38 1 5 0 70 235.287 3

Activity (Go SEA)

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