UCSF

ZINC08830666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 12 Yes

CAS Number: 60142-96-3

Other Names:

NEURONTIN

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) 0.79 3.59 -73.92 3 3 0 68 171.24 3
Lo Low (pH 4.5-6) 0.79 1.61 -53.34 4 3 1 65 172.248 3

Vendor Notes

Note Type Comments Provided By
Therapy anticonvulsant SMDC Pharmakon

Activity (Go SEA)

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