| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3R)-N-[(1-ethylimidazol-2-yl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1-ethylimidazol-2-yl)me…
| 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) | -0.18 | 2.49 | -40.57 | 2 | 5 | 1 | 65 | 258.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 1.74 | -14.91 | 1 | 5 | 0 | 64 | 257.359 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 2.93 | -56.82 | 2 | 5 | 1 | 69 | 258.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
