UCSF

ZINC36103420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 Yes

Popular Name: [4-(morpholinomethyl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone [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) 1.19 4.98 -11.88 0 7 0 60 378.469 6 ↓
Mid Mid (pH 6-8) 1.19 6.98 -51.95 1 7 1 62 379.477 6 ↓

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Rings

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

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