UCSF

ZINC69796721

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 26 Yes

Popular Name: 3-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]-4-(2-pyridyl)thiazol-2-one 3-[[(3R)-3-(morpholinomethyl)-1-…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.58 4.7 -9.28 0 6 0 51 374.51 5 ↓
Mid Mid (pH 6-8) 1.58 8.46 -33.97 1 6 1 52 375.518 5 ↓
Mid Mid (pH 6-8) 1.58 6.63 -41.9 1 6 1 52 375.518 5 ↓

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

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