In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2010 | 24 | No |
Popular Name: 3-[[(4S)-4-isobutyl-2,5-dioxo-imidazolidin-1-yl]methyl-(3-pyridylmethyl)amino]propanenitrile 3-[[(4S)-4-isobutyl-2,5-dioxo-im…
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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) | 0.45 | 4.62 | -15.37 | 1 | 7 | 0 | 89 | 329.404 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | 5.08 | -43.11 | 2 | 7 | 1 | 91 | 330.412 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.