UCSF

ZINC69809419

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: 3-[[(1S)-1-cyclopropylethyl]-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]amino]propanenitrile 3-[[(1S)-1-cyclopropylethyl]-[(7…

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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) 2.74 6.85 -14.92 1 5 0 77 326.396 6 ↓
Lo Low (pH 4.5-6) 2.74 8.96 -68.42 2 5 1 79 327.404 6 ↓

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

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