UCSF

ZINC43971932

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 3.34 7.83 -99.98 3 2 2 21 216.413 9
Hi High (pH 8-9.5) 3.34 5.92 -35.27 2 2 1 20 215.405 9
Hi High (pH 8-9.5) 3.34 6.67 -29.27 2 2 1 16 215.405 9

Activity (Go SEA)

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