UCSF

ZINC67513970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: [4-[(5S)-3,7-diazaspiro[4.5]decan-3-yl]-1-piperidyl]-(2-thienyl)methanone [4-[(5S)-3,7-diazaspiro[4.5]deca…

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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) 1.73 5.53 -44.32 2 4 1 40 334.509 2 ↓
Mid Mid (pH 6-8) 1.73 8.05 -117.27 3 4 2 41 335.517 2 ↓

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Rings

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

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