UCSF

ZINC62840518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 Yes

Popular Name: (4-methyl-4-piperidyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone (4-methyl-4-piperidyl)-[4-(3-thi…

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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) 0.99 4.57 -43.39 2 4 1 40 308.471 3 ↓
Lo Low (pH 4.5-6) 0.99 6.82 -103.76 3 4 2 41 309.479 3 ↓

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Rings

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

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