UCSF

ZINC42615115

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 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) 1.60 1.97 -0.84 3 4 0 43 284.468 8
Mid Mid (pH 6-8) 1.60 4.79 -11.71 4 4 0 44 285.476 8
Mid Mid (pH 6-8) 1.60 4.41 -48.46 4 4 0 45 285.476 8
Mid Mid (pH 6-8) 1.60 4.54 -1.02 3 4 0 43 284.468 8

Activity (Go SEA)

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