UCSF

ZINC69089593

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: (2R)-2-cyclopropyl-2-(cyclopropylamino)-3-(4-hydroxypyrimidin-2-yl)sulfanyl-propanenitrile (2R)-2-cyclopropyl-2-(cyclopropy…

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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) 1.80 3.87 -10.9 2 5 0 82 276.365 6 ↓
Mid Mid (pH 6-8) 2.25 1.88 -43.22 1 5 -1 85 275.357 6 ↓
Lo Low (pH 4.5-6) 1.80 4.45 -56.09 3 5 1 86 277.373 6 ↓

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

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