UCSF

ZINC44646851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) -0.36 5.02 -91.38 3 4 2 41 201.314 3
Hi High (pH 8-9.5) -0.36 3.66 -39.89 2 4 1 37 200.306 3

Activity (Go SEA)

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