UCSF

ZINC67473076

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Substance Information

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

Popular Name: (5S)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2-(4-pyridylmethyl)-2,9-diazaspiro[4.5]decane (5S)-9-[(2-fluoro-5-methoxy-phen…

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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 8.97 -37.21 1 4 1 30 370.492 5 ↓
Hi High (pH 8-9.5) 2.63 6.87 -6.74 0 4 0 29 369.484 5 ↓
Lo Low (pH 4.5-6) 2.63 11.48 -109.53 2 4 2 31 371.5 5 ↓

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

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