UCSF

ZINC67431656

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 28 Yes

Popular Name: 6-[2-[(2-butyl-6-methyl-pyrimidin-4-yl)amino]ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[2-[(2-butyl-6-methyl-pyrimidi…

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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) 1.30 7.87 -54.41 3 8 1 118 379.444 7 ↓
Mid Mid (pH 6-8) 2.21 5.38 -51.48 1 8 -1 120 377.428 7 ↓
Mid Mid (pH 6-8) 1.30 7.36 -27.59 2 8 0 116 378.436 7 ↓
Mid Mid (pH 6-8) 2.21 5.88 -66.62 2 8 0 121 378.436 7 ↓

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Rings

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

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