UCSF

ZINC26899054

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 13 Yes

Popular Name: 1,2,3,4-Tetrahydroquinoline-3-carboxylic acid 1,2,3,4-Tetrahydroquinoline-3-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114527-53-6 , 1187931-92-5 , 6480-68-8 , [114527-53-6] , [1187931-92-5]

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) 1.40 4.07 -46.83 1 3 -1 52 176.195 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5719141 IBM Patent Data

Activity (Go SEA)

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