UCSF

ZINC37827915

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Popular Name: (1S,4R,5S,6S)-6-[[2-(isopropylamino)-2-oxo-ethyl]-methyl-carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carbox (1S,4R,5S,6S)-6-[[2-(isopropylam…

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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) 1.18 6.12 -63.84 1 6 -1 90 293.343 5 ↓
Lo Low (pH 4.5-6) 1.18 3.92 -12.38 2 6 0 87 294.351 5 ↓

Activity (Go SEA)

Rings

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