UCSF

ZINC67514202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]-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) 2.63 9.41 -48.71 1 4 1 26 375.487 4 ↓
Hi High (pH 8-9.5) 2.63 7.54 -8.57 0 4 0 24 374.479 4 ↓
Mid Mid (pH 6-8) 2.63 10.04 -46 1 4 1 26 375.487 4 ↓
Lo Low (pH 4.5-6) 2.63 11.92 -124.83 2 4 2 27 376.495 4 ↓

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Rings

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

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