UCSF

ZINC19865601

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 12 Yes

Popular Name: 4-methyl-2H-isoquinolin-1-one 4-methyl-2H-isoquinolin-1-one

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) 1.93 4.31 -10.51 1 2 0 33 159.188 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0993439A1; WO1998037881A1; WO1999001421A1; WO1999001426A1; WO2000035435A1; WO2000035436A2; WO2000037141A1; WO2000040235A2; WO2000040237A1 IBM Patent Data

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Rings

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