UCSF

ZINC39537221

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 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) 3.74 10.92 -90.02 2 3 2 12 331.548 5
Hi High (pH 8-9.5) 3.74 8.8 -38.43 1 3 1 11 330.54 5

Activity (Go SEA)

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