| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: (1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-furyl)-N-methyl-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) | -0.49 | -1.12 | -60.37 | 3 | 5 | 1 | 78 | 259.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 0.97 | -144.76 | 4 | 5 | 2 | 79 | 260.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.49 | 1.13 | -46.55 | 3 | 5 | 1 | 78 | 259.351 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
