UCSF

ZINC43232051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) -0.19 0.92 -42.01 3 6 1 67 285.412 9
Mid Mid (pH 6-8) -0.19 1.89 -29.25 3 6 1 67 285.412 9
Mid Mid (pH 6-8) -0.19 1.96 -104.41 4 6 2 68 286.42 9

Activity (Go SEA)

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