UCSF

ZINC47865127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 18 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) 0.61 1.05 -37.57 3 5 1 57 256.37 5
Mid Mid (pH 6-8) 0.61 1.18 -34.54 3 5 1 57 256.37 5
Mid Mid (pH 6-8) 0.61 -1.14 -9.18 2 5 0 56 255.362 5

Activity (Go SEA)

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