| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 15 | No |
Popular Name: (3R)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(2-methyl-1H-imidazol-4-…
| 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) | -0.67 | -0.29 | -43.13 | 3 | 5 | 1 | 76 | 230.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | -0.71 | -15.59 | 2 | 5 | 0 | 75 | 229.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.67 | 0.44 | -66.19 | 3 | 5 | 1 | 79 | 230.313 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.67 | 0.92 | -128.62 | 4 | 5 | 2 | 81 | 231.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
