UCSF

ZINC53148053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 4.16 9.46 -33.77 2 2 1 16 295.878 6
Mid Mid (pH 6-8) 4.16 10.57 -104.9 3 2 2 21 296.886 6

Activity (Go SEA)

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