UCSF

ZINC43981127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 2.21 3.94 -31.38 2 3 1 29 229.388 6
Hi High (pH 8-9.5) 2.21 2.77 -1.27 1 3 0 24 228.38 6
Hi High (pH 8-9.5) 2.21 5.83 -27.69 2 3 1 26 229.388 6

Activity (Go SEA)

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