UCSF

ZINC00336851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 1-Methyl-2-quinolinone 1-Methyl-2-quinolinone

Find On: PubMed — Wikipedia — Google

CAS Number: 606-43-9

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 -10.11 0 2 0 22 159.188 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.882 Bitter DB
ALOGPS_SOLUBILITY 1.21e+01 g/l DrugBank-experimental
Melting_Point 74-76? Alfa-Aesar
Melting_Point 74-76° Alfa-Aesar
PUBCHEM_PATENT_ID EP0462812A2; EP0462812B1; EP0623614A1; EP0623614B1 IBM Patent Data

Activity (Go SEA)

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