UCSF

ZINC36906801

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 Yes

Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(3R)-3-methyl-1-piperidyl]ethanamine (2S)-2-(5-chloro-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) 2.58 4.33 -46.33 3 2 1 31 259.826 3 ↓
Hi High (pH 8-9.5) 2.58 4.25 -2.19 2 2 0 29 258.818 3 ↓
Lo Low (pH 4.5-6) 2.58 6.53 -121.37 4 2 2 32 260.834 3 ↓

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