UCSF

ZINC62977953

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Substance Information

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

Popular Name: (1S,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)propan-2-amine (1S,2S)-1-[(3S)-3-morpholinopyrr…

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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) 1.02 1.67 -38.39 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.02 1.28 -3.02 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.02 3.87 -92.61 4 4 2 45 297.468 4 ↓

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

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