UCSF

ZINC67433408

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: 12-methyl-3-(quinoline-8-carbonyl)-3,8,12-triazaspiro[5.6]dodecan-7-one 12-methyl-3-(quinoline-8-carbony…

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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) 0.59 5.79 -49.01 2 6 1 67 353.446 1 ↓
Hi High (pH 8-9.5) 0.59 4.1 -17.87 1 6 0 66 352.438 1 ↓

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

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