UCSF

ZINC48702639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 2.24 8.04 -9.21 1 4 0 45 273.38 4
Lo Low (pH 4.5-6) 2.24 8.5 -36.12 2 4 1 46 274.388 4

Activity (Go SEA)

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