UCSF

ZINC67742075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: (3S)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-6-oxo-1-propyl-piperidine-3-carboxamide (3S)-N-[[2-(4-methylpiperazin-1-…

Find On: PubMed — Wikipedia — Google

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) 0.87 8.46 -47.16 2 7 1 70 374.509 6 ↓
Hi High (pH 8-9.5) 0.87 6.09 -13.39 1 7 0 69 373.501 6 ↓
Mid Mid (pH 6-8) 0.87 6.39 -45.79 2 7 1 70 374.509 6 ↓
Mid Mid (pH 6-8) 0.87 8.77 -108.99 3 7 2 71 375.517 6 ↓

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Rings

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

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