UCSF

ZINC55066819

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 18 Yes

Popular Name: 1-[(1S)-1-methylpropyl]-4-[2-[(2R)-2-piperidyl]ethyl]piperazine 1-[(1S)-1-methylpropyl]-4-[2-[(2…

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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) 2.39 6.47 -84.87 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.39 4.57 -35.37 2 3 1 23 254.442 5 ↓

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

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