UCSF

ZINC43967802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.55 8.65 -85.44 3 3 2 24 283.504 9
Hi High (pH 8-9.5) 3.55 6.43 -36.8 2 3 1 23 282.496 9

Activity (Go SEA)

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