UCSF

ZINC67955106

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 3-[1-(2,3-dimethylphenyl)-4-piperidyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one 3-[1-(2,3-dimethylphenyl)-4-pipe…

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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) 2.99 8.67 -39.6 2 5 1 40 385.576 2 ↓
Hi High (pH 8-9.5) 2.99 6.29 -7.93 1 5 0 39 384.568 2 ↓
Lo Low (pH 4.5-6) 2.99 8.79 -105.62 3 5 2 41 386.584 2 ↓

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Rings

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

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