UCSF

ZINC42432783

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 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) 0.17 0.88 -101.45 5 3 2 52 200.326 3
Mid Mid (pH 6-8) 0.17 -0.61 -42.71 4 3 1 51 199.318 3

Activity (Go SEA)

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