UCSF

ZINC28265405

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 18 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) -0.07 0.94 -51.79 4 5 1 75 253.322 8
Hi High (pH 8-9.5) -0.07 -0.56 -14.54 3 5 0 71 252.314 8

Activity (Go SEA)

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