UCSF

ZINC42163657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 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) 0.68 5.87 -33.45 1 4 0 48 226.32 5
Mid Mid (pH 6-8) 0.68 8.34 -74.71 2 4 1 49 227.328 5
Mid Mid (pH 6-8) 0.68 6.31 -46.22 1 4 0 48 226.32 5

Activity (Go SEA)

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