| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 22 | No |
Popular Name: (5S)-3-(1-isoquinolylmethyl)-5-(2-methylsulfanylethyl)-2-thioxo-imidazolidin-4-one (5S)-3-(1-isoquinolylmethyl)-5-(…
| 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) | 2.25 | 8.51 | -14.55 | 1 | 4 | 0 | 45 | 331.466 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 9.57 | -33.83 | 2 | 4 | 1 | 46 | 332.474 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
