UCSF

ZINC33877463

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 22 Yes

Popular Name: (3R-cis)-4-(2-(3-Ethenyl-4-piperidinyl)ethyl)-6-methoxyquinoline dihydrochloride; 6-Methoxy-4-(2-(3(R)-ethenyl-4(R)-piperidyl)ethyl)quinoline dihydrochloride; LS-141940; Quinoline, 4-(2-(3-ethenyl-4-piperidinyl)ethyl)-6-methoxy-, dihydrochloride, (3R-cis) (3R-cis)-4-(2-(3-Ethenyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.86 8.06 -46.11 2 3 1 39 297.422 5 ↓
Lo Low (pH 4.5-6) 3.86 8.49 -82.91 3 3 2 40 298.43 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0031753A1; US4433150; US4505916 IBM Patent Data

Activity (Go SEA)

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