UCSF

ZINC55042398

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-[(E)-2-methylbut-2-enyl]-3,7-diazaspiro[4.5]decane (5S)-7-[(3,4-difluorophenyl)meth…

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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) 4.07 10.8 -36.47 1 2 1 8 335.462 4 ↓
Hi High (pH 8-9.5) 4.07 10.38 -46.16 1 2 1 8 335.462 4 ↓
Hi High (pH 8-9.5) 4.07 8.34 -4.71 0 2 0 6 334.454 4 ↓

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

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