| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[[(3S)-1,1-dioxothiolan-3-yl]m…
| 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) | 0.32 | 0.47 | -79.55 | 2 | 6 | 1 | 90 | 246.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.32 | -0.9 | -21.97 | 1 | 6 | 0 | 85 | 245.304 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
