UCSF

ZINC67755481

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 28 Yes

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-phenylphenyl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 3.30 10.27 -46.55 1 4 1 28 378.54 2 ↓
Lo Low (pH 4.5-6) 3.30 12.54 -110.77 2 4 2 29 379.548 2 ↓

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

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