UCSF

ZINC35719722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 1.26 5.28 -49.73 3 3 1 44 234.348 4
Hi High (pH 8-9.5) 1.26 4.96 -5.16 2 3 0 42 233.34 4
Mid Mid (pH 6-8) 1.26 5.77 -104.27 4 3 2 45 235.356 4

Activity (Go SEA)

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