UCSF

ZINC62973633

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: N-[(2S)-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(3S)-3-(1-piperidyl)p…

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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) 1.88 6.97 -84.65 3 3 2 24 253.434 5 ↓
Hi High (pH 8-9.5) 1.88 4.81 -32.08 2 3 1 23 252.426 5 ↓

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

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