UCSF

ZINC28224915

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 0.87 -1.85 -14.86 3 7 0 111 296.333 2
Hi High (pH 8-9.5) 0.87 -1.37 -37.1 2 7 -1 108 295.325 2
Lo Low (pH 4.5-6) 0.87 -1.41 -37.41 4 7 1 112 297.341 2

Activity (Go SEA)

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