UCSF

ZINC69760976

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 No

Popular Name: (3R)-3-methyl-4-[2-[(2S)-2-piperidyl]ethyl]thiomorpholine (3R)-3-methyl-4-[2-[(2S)-2-piper…

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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) 2.01 5.29 -39.67 2 2 1 20 229.413 3 ↓
Lo Low (pH 4.5-6) 2.01 7.34 -109.82 3 2 2 21 230.421 3 ↓

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

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