UCSF

ZINC70193593

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 Yes

Popular Name: 2-[(2R)-1-[2-(2,5-dichlorophenyl)sulfanylethyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[2-(2,5-dichlorophenyl…

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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) 4.64 8.73 -40.04 2 2 1 20 348.363 7 ↓
Mid Mid (pH 6-8) 4.64 10.87 -106.09 3 2 2 21 349.371 7 ↓

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

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