UCSF

ZINC43448411

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.40 8.38 -110.99 3 4 2 41 285.476 9
Hi High (pH 8-9.5) 1.40 7.07 -39.6 2 4 1 37 284.468 9
Hi High (pH 8-9.5) 1.40 6.12 -45.3 2 4 1 40 284.468 9

Activity (Go SEA)

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