UCSF

ZINC62969801

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: (2R,4R)-4-ethyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]cyclohexanone (2R,4R)-4-ethyl-2-[[(3S)-3-pyrro…

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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) 2.54 8.04 -37.53 1 3 1 25 279.448 4 ↓
Hi High (pH 8-9.5) 2.54 5.63 -5.27 0 3 0 24 278.44 4 ↓
Lo Low (pH 4.5-6) 2.54 10.41 -112.47 2 3 2 26 280.456 4 ↓

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

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