| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | No |
Popular Name: N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-pyrimidin-4-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) | -0.29 | 1.92 | -67.1 | 2 | 5 | 1 | 77 | 242.324 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 0.55 | -16.56 | 1 | 5 | 0 | 72 | 241.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
