UCSF

ZINC43707747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -0.94 0.52 -50.22 3 5 1 64 215.273 3
Hi High (pH 8-9.5) -0.94 -0.83 -9.91 2 5 0 60 214.265 3

Activity (Go SEA)

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