UCSF

ZINC41537050

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 Yes

Popular Name: (1S,4R,5S,6S)-6-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-[2-(1,3,5-trimet…

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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) 1.28 6.95 -44.98 1 6 -1 87 316.381 5 ↓
Lo Low (pH 4.5-6) 1.28 5 -13.73 2 6 0 84 317.389 5 ↓
Lo Low (pH 4.5-6) 1.28 5.13 -34.58 3 6 1 85 318.397 5 ↓

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