UCSF

ZINC69486470

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: (2S)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-[(1S)-1-methylpropyl]pyrazol-3-yl]p (2S)-2-(1-methyl-6,7-dihydro-4H-…

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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) 0.42 7.74 -37.99 2 7 1 69 331.444 5 ↓
Hi High (pH 8-9.5) 0.42 7.28 -20.21 1 7 0 68 330.436 5 ↓
Lo Low (pH 4.5-6) 0.42 9.35 -45.61 2 7 1 69 331.444 5 ↓

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

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