UCSF

ZINC45219074

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 18 Yes

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanenitrile (2S)-2-(cyclopropylamino)-2-meth…

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Vendors

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) 1.74 3.33 -12.08 2 5 0 82 264.354 5 ↓
Hi High (pH 8-9.5) 2.20 1.35 -47.52 1 5 -1 85 263.346 5 ↓
Lo Low (pH 4.5-6) 1.74 4.49 -51.66 3 5 1 86 265.362 5 ↓
Lo Low (pH 4.5-6) 2.20 2.51 -58.61 2 5 0 89 264.354 5 ↓

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

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