UCSF

ZINC43587214

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 39 No

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) 8.09 19.01 -203.2 2 9 -3 162 553.761 27
Lo Low (pH 4.5-6) 8.09 17.02 -122.48 3 9 -2 159 554.769 27

Activity (Go SEA)

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