UCSF

ZINC69089577

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 No

Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(2-furylmethylsulfanyl)propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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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) 2.56 5.97 -5.99 1 3 0 49 250.367 7 ↓
Lo Low (pH 4.5-6) 2.56 6.99 -37.02 2 3 1 54 251.375 7 ↓

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

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