UCSF

ZINC55120224

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 Yes

Popular Name: (5S)-2-[(3,4-difluorophenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (5S)-2-[(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) 2.62 7.84 -38.38 1 3 1 17 325.423 5 ↓
Hi High (pH 8-9.5) 2.62 5.91 -5.46 0 3 0 16 324.415 5 ↓
Hi High (pH 8-9.5) 2.62 8.36 -48.03 1 3 1 17 325.423 5 ↓

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

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