| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 17 | Yes |
Popular Name: (2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[(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) | -0.15 | 2.4 | -10.54 | 1 | 5 | 0 | 50 | 236.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 3.58 | -36.38 | 2 | 5 | 1 | 51 | 237.327 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 4.35 | -42.95 | 2 | 5 | 1 | 51 | 237.327 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 5.06 | -111.52 | 3 | 5 | 2 | 53 | 238.335 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
