UCSF

ZINC52484151

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: N-[(2S)-3-methyl-2-[4-(1-piperidyl)-1-piperidyl]butyl]cyclopropanamine N-[(2S)-3-methyl-2-[4-(1-piperid…

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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) 2.93 8.8 -84.51 3 3 2 24 295.515 6 ↓
Mid Mid (pH 6-8) 2.93 8.59 -112.97 3 3 2 24 295.515 6 ↓
Lo Low (pH 4.5-6) 2.93 11.15 -191.56 4 3 3 25 296.523 6 ↓

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

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