| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 23 | Yes |
Popular Name: 1-[4-[(2-ethylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-isopropoxy-propan-1-one 1-[4-[(2-ethylthiazol-4-yl)methy…
| 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) | 1.68 | 8.79 | -41.62 | 1 | 5 | 1 | 47 | 340.513 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 6.93 | -11.26 | 0 | 5 | 0 | 46 | 339.505 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
