UCSF

ZINC47387115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 23 Yes

Popular Name: 1-[5-[4-(morpholinomethyl)piperidine-1-carbonyl]-2-thienyl]ethanone 1-[5-[4-(morpholinomethyl)piperi…

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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) 2.06 5.51 -11.74 0 5 0 50 336.457 4 ↓
Mid Mid (pH 6-8) 2.06 7.48 -54.18 1 5 1 51 337.465 4 ↓

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Rings

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

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