UCSF

ZINC67473225

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: (7,10-dimethyl-3,7,10-triazaspiro[5.5]undecan-3-yl)-(2,6,8-trimethyl-4-quinolyl)methanone (7,10-dimethyl-3,7,10-triazaspir…

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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) 2.76 8.64 -50.17 1 5 1 41 381.544 1 ↓
Hi High (pH 8-9.5) 2.76 6.59 -9.61 0 5 0 40 380.536 1 ↓

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Rings

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

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