UCSF

ZINC44512065

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.54 6.77 -105.31 4 4 2 50 274.412 3
Mid Mid (pH 6-8) 1.54 4.55 -51.04 3 4 1 49 273.404 3
Mid Mid (pH 6-8) 1.54 5.59 -81.47 4 4 2 50 274.412 3

Activity (Go SEA)

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