UCSF

ZINC62977905

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Substance Information

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

Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2S)-1-(4-bromo-2-thienyl)-1-…

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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) 1.76 1.47 -43.07 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.76 1.14 -2.97 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.76 3.68 -99.96 4 4 2 45 376.364 4 ↓

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

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