UCSF

ZINC67934419

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 Yes

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methyl-2-thienyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 0.64 2.75 -48.15 4 7 1 99 323.398 5 ↓
Hi High (pH 8-9.5) 1.10 -1.92 -34.92 2 7 -1 101 321.382 5 ↓
Hi High (pH 8-9.5) 1.10 -2.97 -45.18 2 7 -1 101 321.382 5 ↓
Mid Mid (pH 6-8) 0.64 -0.21 -10.72 3 7 0 98 322.39 5 ↓

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Rings

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

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