UCSF

ZINC59588221

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 2.97 6.86 -37.17 2 3 1 26 316.263 8
Mid Mid (pH 6-8) 2.97 5.73 -46.17 2 3 1 29 316.263 8

Activity (Go SEA)

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