UCSF

ZINC42914954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 0.65 1.44 -46.81 4 3 1 51 239.314 4
Mid Mid (pH 6-8) 0.65 3.3 -122.77 5 3 2 52 240.322 4

Activity (Go SEA)

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