UCSF

ZINC62977986

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 20 Yes

Popular Name: (2S)-2-(3-methyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(3-methyl-2-thienyl)-2-[(…

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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) 1.00 1.23 -48.86 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.00 0.65 -4.17 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.00 3.44 -115.54 4 4 2 45 297.468 4 ↓

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