UCSF

ZINC55072825

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 30 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) 2.84 11.78 -89.14 2 5 2 32 414.638 5
Hi High (pH 8-9.5) 2.84 9.38 -46.41 1 5 1 31 413.63 5
Lo Low (pH 4.5-6) 2.84 12.25 -91.32 2 5 2 32 414.638 5

Activity (Go SEA)

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