UCSF

ZINC72190334

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2012 16 Yes

Popular Name: Ethyl 2-(quinolin-6-yl)acetate Ethyl 2-(quinolin-6-yl)acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5622-38-8 , [5622-38-8]

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) 2.34 7.22 -10.73 0 3 0 39 215.252 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.