UCSF

ZINC62973715

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Popular Name: N-[(2S)-3-methyl-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]butyl]cyclopropanamine N-[(2S)-3-methyl-2-[(3S)-3-(1-pi…

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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) 2.66 7.94 -86.18 3 3 2 24 281.488 6 ↓
Hi High (pH 8-9.5) 2.66 6.18 -32.64 2 3 1 23 280.48 6 ↓

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

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