UCSF

ZINC69089570

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 3.07 6.73 -5.9 1 3 0 49 264.394 8 ↓
Lo Low (pH 4.5-6) 3.07 7.74 -37.56 2 3 1 54 265.402 8 ↓

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

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