UCSF

ZINC69094201

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 Yes

Popular Name: (2R)-2-cyclopropyl-3-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-[(5-oxo-4-p…

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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) 2.28 5.83 -10.12 2 6 0 87 309.439 9 ↓
Lo Low (pH 4.5-6) 2.28 6.82 -53.57 3 6 1 91 310.447 9 ↓

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

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