UCSF

ZINC67947690

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 24 Yes

Popular Name: 3-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]-3,8-diazaspiro[4.5]decane 3-[5-[(4-methylpiperazin-1-yl)me…

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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) 0.88 7.49 -140.89 4 5 3 42 332.516 3 ↓
Hi High (pH 8-9.5) 0.88 4.76 -46.28 2 5 1 39 330.5 3 ↓
Mid Mid (pH 6-8) 0.88 7.12 -85.39 3 5 2 40 331.508 3 ↓

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

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