UCSF

ZINC20119615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 22 Yes

Popular Name: 3-[[4-(morpholinomethyl)-1-piperidyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole 3-[[4-(morpholinomethyl)-1-piper…

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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) 1.67 5.77 -36.12 2 5 1 46 305.446 4 ↓
Mid Mid (pH 6-8) 1.67 7.86 -113.39 3 5 2 47 306.454 4 ↓

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

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