UCSF

ZINC51171029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 1.37 3.57 -51.61 2 3 1 37 231.728 1
Mid Mid (pH 6-8) 1.37 2.28 -6.34 1 3 0 32 230.72 1

Activity (Go SEA)

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