UCSF

ZINC66829105

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2011 28 Yes

Popular Name: N-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]-5-methyl-1-(5-quinolyl)triazole-4-carboxamide N-[(1S)-1-(dimethylaminomethyl)-…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.92 8.76 -42.53 2 7 1 77 381.504 7 ↓
Lo Low (pH 4.5-6) 2.92 9.1 -82.47 3 7 2 78 382.512 7 ↓

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

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