UCSF

ZINC69792441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: 1-[(4-methylpiperazin-1-yl)methyl]-6-azaspiro[2.5]octane 1-[(4-methylpiperazin-1-yl)methy…

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CAS Number: 1344063-40-6

Other Names:

MFCD19643228

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) 0.75 5 -84.61 3 3 2 24 225.38 2 ↓
Hi High (pH 8-9.5) 0.75 4.89 -93.69 3 3 2 24 225.38 2 ↓
Hi High (pH 8-9.5) 0.75 2.65 -39.35 2 3 1 23 224.372 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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