UCSF

ZINC53652379

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 Yes

Popular Name: N-[[(2S)-1-[(1-ethylpyrazol-4-yl)methyl]-2-piperidyl]methyl]cyclopropanamine N-[[(2S)-1-[(1-ethylpyrazol-4-yl…

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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) 1.54 6.65 -37.25 2 4 1 38 263.409 6 ↓
Mid Mid (pH 6-8) 1.54 8.59 -114.58 3 4 2 39 264.417 6 ↓

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

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