UCSF

ZINC19451162

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 Yes

Popular Name: (5S,7R)-5-isopropyl-N-[(1S)-1-methyl-2-(2-pyridyl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyraz (5S,7R)-5-isopropyl-N-[(1S)-1-me…

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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 7.93 -12.99 2 6 0 72 395.429 6 ↓
Lo Low (pH 4.5-6) 2.92 7.78 -37.39 3 6 1 73 396.437 6 ↓

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

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