| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | No |
Popular Name: (1R)-N'-[(3R)-1,1-dioxothiolan-3-yl]-N,N'-dimethyl-1-phenyl-propane-1,3-diamine (1R)-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) | 0.60 | 3.33 | -56.3 | 2 | 4 | 1 | 54 | 297.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 2.18 | -10.99 | 1 | 4 | 0 | 49 | 296.436 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 4.45 | -54.26 | 2 | 4 | 1 | 51 | 297.444 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 5.57 | -142.39 | 3 | 4 | 2 | 55 | 298.452 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
