UCSF

ZINC43499864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) -0.35 1.02 -94.68 4 5 2 53 230.356 6
Hi High (pH 8-9.5) -0.35 -0.33 -37.11 3 5 1 49 229.348 6

Activity (Go SEA)

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