UCSF

ZINC49396439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) 1.68 7.95 -44.45 2 5 1 61 271.344 2
Mid Mid (pH 6-8) 1.68 5.75 -8.58 1 5 0 59 270.336 2

Activity (Go SEA)

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