UCSF

ZINC26819203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 22 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) 6.09 12.35 -6.37 0 2 0 26 296.458 9
Lo Low (pH 4.5-6) 6.09 12.68 -32.88 1 2 1 27 297.466 9

Activity (Go SEA)

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