UCSF

ZINC65528613

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 No

Popular Name: (3S)-3-[(3R,5S)-5-cyclopropyl-4,5-dihydro-3H-1,2,4-triazol-3-yl]-6-(4-pyridyl)-3H-pyridin-2-one (3S)-3-[(3R,5S)-5-cyclopropyl-4,…

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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) 0.48 -0.34 -15.61 1 6 0 79 281.319 3 ↓
Lo Low (pH 4.5-6) 0.48 1.04 -60.72 2 6 1 84 282.327 3 ↓

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

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