UCSF

ZINC62977794

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(3…

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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) 2.42 5.83 -94.34 4 3 2 35 360.365 4 ↓
Hi High (pH 8-9.5) 2.42 6.14 -30.84 3 3 1 34 359.357 4 ↓
Hi High (pH 8-9.5) 2.42 3.29 -2.68 2 3 0 32 358.349 4 ↓
Hi High (pH 8-9.5) 2.42 3.66 -44.97 3 3 1 34 359.357 4 ↓

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Rings

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

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