| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | No |
Popular Name: (1S,2R)-N'-[(3R)-1,1-dioxothiolan-3-yl]-N,N',2-trimethyl-1-phenyl-propane-1,3-diamine (1S,2R)-N'-[(3R)-1,1-dioxothiola…
| 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) | 1.98 | 5.41 | -48.39 | 2 | 4 | 1 | 54 | 311.471 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 5.19 | -54.83 | 2 | 4 | 1 | 51 | 311.471 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 6.01 | -135.18 | 3 | 4 | 2 | 55 | 312.479 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
