UCSF

ZINC37717669

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 Yes

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

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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) 1.23 6.46 -42.84 1 5 -1 82 285.323 5 ↓
Lo Low (pH 4.5-6) 1.23 4.51 -11.06 2 5 0 79 286.331 5 ↓
Lo Low (pH 4.5-6) 1.23 4.98 -39.96 3 5 1 81 287.339 5 ↓

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Rings

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

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