UCSF

ZINC52379266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 1.44 5.28 -81.61 3 3 2 24 215.385 5
Mid Mid (pH 6-8) 1.44 2.92 -35.71 2 3 1 23 214.377 5
Mid Mid (pH 6-8) 1.44 4.88 -97.76 3 3 2 24 215.385 5

Activity (Go SEA)

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