UCSF

ZINC23929700

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 24 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) 1.75 8.1 -51.9 2 5 1 54 352.455 6
Hi High (pH 8-9.5) 1.75 5.88 -14.38 1 5 0 53 351.447 6

Activity (Go SEA)

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