UCSF

ZINC53926706

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 No

Popular Name: (2R,4R)-2-[[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]methyl]-4-propyl-cyclohexanone (2R,4R)-2-[[methyl-[(3R)-tetrahy…

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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) 3.19 9.69 -42.74 1 2 1 22 270.462 5 ↓
Hi High (pH 8-9.5) 3.19 7.59 -6.99 0 2 0 20 269.454 5 ↓

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

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