UCSF

ZINC70188549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 Yes

Popular Name: 2-[1-[2-(2-fluorophenyl)sulfanylethyl]-4-piperidyl]ethanamine 2-[1-[2-(2-fluorophenyl)sulfanyl…

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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) 2.55 8.25 -101.85 4 2 2 32 284.444 6 ↓
Hi High (pH 8-9.5) 2.55 6.02 -47.19 3 2 1 31 283.436 6 ↓

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Rings

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

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