| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | No |
Popular Name: 2-[1-[(3S)-1,1-dioxothiolan-3-yl]triazol-4-yl]propan-2-amine 2-[1-[(3S)-1,1-dioxothiolan-3-yl…
| 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) | -0.20 | -1.17 | -63.77 | 3 | 6 | 1 | 93 | 245.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | -1.43 | -17.53 | 2 | 6 | 0 | 91 | 244.32 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
