| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: (1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-[(3R)-1,1-dioxothiolan-3-…
| 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) | -0.92 | -0.84 | -59.94 | 3 | 5 | 1 | 78 | 270.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | -0.66 | -13.08 | 2 | 5 | 0 | 76 | 269.37 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.92 | 1.81 | -142.32 | 4 | 5 | 2 | 79 | 271.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
