UCSF

ZINC13281648

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 25 No

Popular Name: 3-[(1,3-dioxoisoindolin-2-yl)methyl-[2-(2-pyridyl)ethyl]amino]propanenitrile 3-[(1,3-dioxoisoindolin-2-yl)met…

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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) 1.63 7.31 -14.47 0 6 0 79 334.379 7 ↓
Lo Low (pH 4.5-6) 1.63 9.93 -109.24 2 6 2 81 336.395 7 ↓
Lo Low (pH 4.5-6) 1.63 7.69 -38.98 1 6 1 80 335.387 7 ↓

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

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