UCSF

ZINC67981675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 25 Yes

Popular Name: 2,4-diethyl-1-{4-nitrobenzyl}-2,7-dimethyl-1,2-dihydroquinoline 2,4-diethyl-1-{4-nitrobenzyl}-2,…

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Other Names:

MFCD00627111

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) 1.67 10.26 -47.03 2 6 1 64 343.499 4 ↓
Lo Low (pH 4.5-6) 1.67 11.08 -110.22 3 6 2 65 344.507 4 ↓

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

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