UCSF

ZINC00388450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 3-Quinolinecarbonitrile 3-Quinolinecarbonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21863-57-0 , 34846-64-5 , [34846-64-5]

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) 1.68 5.28 -6.82 0 2 0 37 154.172 0 ↓
Lo Low (pH 4.5-6) 1.68 5.55 -36.09 1 2 1 38 155.18 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 - 102 Enamine Building Blocks
MP 100...102 Enamine Building Blocks
MP 108 - 110 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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