UCSF

ZINC67740931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 1-(3,10-diazaspiro[5.6]dodecan-10-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone 1-(3,10-diazaspiro[5.6]dodecan-1…

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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) 1.67 9.96 -93.85 3 4 2 41 343.515 2 ↓
Mid Mid (pH 6-8) 1.67 7.76 -50.15 2 4 1 40 342.507 2 ↓

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Rings

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

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