UCSF

ZINC40835689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 6.28 14.07 -48.2 0 2 -1 40 273.396 10
Lo Low (pH 4.5-6) 6.28 12.1 -10.67 1 2 0 37 274.404 10

Activity (Go SEA)

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