UCSF

ZINC57993546

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 2.56 7.89 -45.2 2 2 1 29 245.321 5
Mid Mid (pH 6-8) 2.56 6.69 -5.07 1 2 0 25 244.313 5

Activity (Go SEA)

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