UCSF

ZINC69921372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: [4-(morpholinomethyl)-1-piperidyl]methylBLAHone [4-(morpholinomethyl)-1-piperidy…

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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) 1.82 7.46 -40.36 1 5 1 37 334.484 4 ↓
Hi High (pH 8-9.5) 1.82 5.06 -5.91 0 5 0 36 333.476 4 ↓
Mid Mid (pH 6-8) 1.82 9.52 -105.24 2 5 2 38 335.492 4 ↓

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

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