UCSF

ZINC01394028

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 Yes

Popular Name: 1,4,8-trimethyl-2(1H)-quinolinone 1,4,8-trimethyl-2(1H)-quinolinone

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CAS Number: 53761-47-0

Other Names:

MFCD01444192

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) 2.76 1.42 -9.53 0 2 0 22 187.242 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 33 KeyOrganics

Activity (Go SEA)

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