UCSF

ZINC52569808

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 28 No

Popular Name: 5-methyl-2-[[4-(4-pyridyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinoline-1-thione 5-methyl-2-[[4-(4-pyridyl)pipera…

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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) 2.85 11.29 -40.46 1 6 1 43 391.524 3 ↓
Mid Mid (pH 6-8) 2.85 13.51 -88.61 2 6 2 44 392.532 3 ↓

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

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