UCSF

ZINC67973866

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 7-methyl-3-(4-methylpyridine-3-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one 7-methyl-3-(4-methylpyridine-3-c…

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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) -0.23 4.02 -45.65 2 6 1 67 317.413 1 ↓
Hi High (pH 8-9.5) -0.23 2.23 -11.28 1 6 0 66 316.405 1 ↓

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

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