UCSF

ZINC49234951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 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) 2.87 8.16 -34.71 2 3 1 43 226.34 7
Mid Mid (pH 6-8) 2.87 6.96 -3.6 1 3 0 38 225.332 7

Activity (Go SEA)

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