UCSF

ZINC58004552

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 29 Yes

Popular Name: (2S)-3-methyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(3-pyridylmethyl)butanami (2S)-3-methyl-2-[(5-methyl-[1,2,…

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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) 3.77 10.57 -19.5 1 6 0 72 405.527 6 ↓
Lo Low (pH 4.5-6) 3.77 11.72 -49.16 2 6 1 73 406.535 6 ↓

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

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