UCSF

ZINC65594841

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 22 Yes

Popular Name: N-[(3-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine N-[(3-tert-butyl-1H-pyrazol-4-yl…

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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) 2.54 7.2 -31.33 3 5 1 60 302.446 6 ↓
Hi High (pH 8-9.5) 2.54 6.79 -10.24 2 5 0 59 301.438 6 ↓
Hi High (pH 8-9.5) 2.54 6.75 -10.39 2 5 0 59 301.438 6 ↓
Mid Mid (pH 6-8) 2.54 7.17 -30.85 3 5 1 60 302.446 6 ↓
Lo Low (pH 4.5-6) 2.54 8.54 -102.64 4 5 2 64 303.454 6 ↓
Lo Low (pH 4.5-6) 2.54 8.39 -99.73 4 5 2 64 303.454 6 ↓

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

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