UCSF

ZINC22926836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 1.80 4.68 -37.33 2 5 1 46 292.403 5
Hi High (pH 8-9.5) 1.80 2.38 -10.98 1 5 0 45 291.395 5

Activity (Go SEA)

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