UCSF

ZINC40232819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 4.26 9.62 -11.68 0 3 0 27 286.762 4
Lo Low (pH 4.5-6) 4.26 10.28 -28.59 1 3 1 28 287.77 4

Activity (Go SEA)

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