UCSF

ZINC67541426

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 22 Yes

Popular Name: (5S)-3-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-3,7-diazaspiro[4.5]decane (5S)-3-[[1-(3-pyridyl)pyrrol-2-y…

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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) 1.42 6.52 -39.47 2 4 1 38 297.426 3 ↓
Mid Mid (pH 6-8) 1.42 9.02 -100.73 3 4 2 39 298.434 3 ↓

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

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