UCSF

ZINC40770230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) 2.28 7.59 -91.09 3 3 2 24 269.477 6
Mid Mid (pH 6-8) 2.28 7.52 -107.65 3 3 2 24 269.477 6
Mid Mid (pH 6-8) 2.28 5.71 -33.09 2 3 1 23 268.469 6

Activity (Go SEA)

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