UCSF

ZINC01846165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 29 Yes

Popular Name: Tianeptine sodium Tianeptine sodium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 30123-17-2 , 66981-73-5 , [30123-17-2] , [66981-73-5] , [72797-41-2]

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) 4.38 10.5 -81.06 2 6 0 94 436.961 8 ↓
Mid Mid (pH 6-8) 4.38 9.29 -53.28 1 6 -1 90 435.953 8 ↓
Lo Low (pH 4.5-6) 4.38 8.53 -57.41 3 6 1 91 437.969 8 ↓

Vendor Notes

Note Type Comments Provided By
Target 5-HT Receptor Selleck Chemicals
Indications antidepressant KeyOrganics Bioactives

Activity (Go SEA)

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