| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | No |
Popular Name: (1S,2S)-N1-[(3R)-1,1-dioxothiolan-3-yl]-N1-methyl-1-(p-tolyl)butane-1,2-diamine (1S,2S)-N1-[(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) | 1.63 | 4.64 | -138.8 | 4 | 4 | 2 | 66 | 312.479 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 2.71 | -60.27 | 3 | 4 | 1 | 65 | 311.471 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 4.35 | -53.53 | 3 | 4 | 1 | 65 | 311.471 | 5 | ↓ |
