UCSF

ZINC55088618

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 Yes

Popular Name: (5S)-9-[(2-fluorophenyl)methyl]-2-(2-pyridylmethyl)-2,9-diazaspiro[4.5]decane (5S)-9-[(2-fluorophenyl)methyl]-…

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Download: MOL2 SDF SMILES Flexibase

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) 2.72 9.62 -36.9 1 3 1 21 340.466 4 ↓
Hi High (pH 8-9.5) 2.72 7.48 -7.3 0 3 0 19 339.458 4 ↓
Hi High (pH 8-9.5) 2.72 9.94 -35.89 1 3 1 21 340.466 4 ↓
Mid Mid (pH 6-8) 2.72 10.16 -77.09 2 3 2 22 341.474 4 ↓

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Rings

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

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