UCSF

ZINC55104397

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 19 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) 3.52 9.44 -35.51 1 3 1 36 271.365 2
Mid Mid (pH 6-8) 3.52 9.02 -10.77 0 3 0 34 270.357 2

Activity (Go SEA)

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