UCSF

ZINC22066252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 Yes

CAS Number: 52809-07-1

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) -4.04 -4.73 -52.73 3 8 -1 139 188.119 3
Hi High (pH 8-9.5) -4.04 -5.08 -89.4 2 8 -2 137 187.111 3
Mid Mid (pH 6-8) -4.04 -7.92 -16.73 4 8 0 132 189.127 3

Vendor Notes

Note Type Comments Provided By
Target Metabotropic glutamate receptor 1(Q13255) Herbal Ingredients Targets

Activity (Go SEA)

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