UCSF

ZINC55063365

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-[4-[(1S)-1-methylpropyl]piper…

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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) 2.25 8.26 -187.85 5 4 3 49 291.463 4 ↓
Hi High (pH 8-9.5) 2.25 6 -47.46 3 4 1 47 289.447 4 ↓
Mid Mid (pH 6-8) 2.25 7.84 -103.7 4 4 2 48 290.455 4 ↓
Mid Mid (pH 6-8) 2.25 6.43 -99.58 4 4 2 48 290.455 4 ↓

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Rings

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

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