UCSF

ZINC43982150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 3.24 10.23 -90.37 3 3 2 24 293.499 10
Hi High (pH 8-9.5) 3.24 9.2 -35.34 2 3 1 20 292.491 10
Hi High (pH 8-9.5) 3.24 7.92 -34.74 2 3 1 23 292.491 10
Mid Mid (pH 6-8) 3.24 10.12 -110.62 3 3 2 21 293.499 10

Activity (Go SEA)

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