UCSF

ZINC62851102

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 18 Yes

Popular Name: 2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-1H-pyridazine-3,6-dione 2-[2-oxo-2-(3-oxopiperazin-1-yl)…

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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) -1.14 -3.41 -50.22 1 8 -1 107 251.222 2 ↓
Lo Low (pH 4.5-6) -1.14 -4.13 -17.51 2 8 0 105 252.23 2 ↓

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Rings

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

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