UCSF

ZINC42416998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.93 3.65 -49.22 0 6 -1 83 235.219 5
Mid Mid (pH 6-8) 0.93 6 -68.38 1 6 0 84 236.227 5

Activity (Go SEA)

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