| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: (1R)-N'-[(3S)-1,1-dioxothian-3-yl]-N,N-dimethyl-1-phenyl-ethane-1,2-diamine (1R)-N'-[(3S)-1,1-dioxothian-3-y…
| 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) | 1.50 | 3.5 | -12.26 | 1 | 4 | 0 | 49 | 296.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 5.8 | -46.72 | 2 | 4 | 1 | 51 | 297.444 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 5.49 | -135.18 | 3 | 4 | 2 | 55 | 298.452 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 3.65 | -56.3 | 2 | 4 | 1 | 54 | 297.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
