UCSF

ZINC67954552

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: 4-[[[2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl]amino]methyl]-2H-phthalazin-1-one 4-[[[2-(dimethylamino)-5,6-dimet…

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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) 2.65 8.3 -35.78 3 7 1 88 325.396 4 ↓
Hi High (pH 8-9.5) 2.65 7.83 -13.66 2 7 0 87 324.388 4 ↓

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

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