| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2011 | 24 | Yes |
Popular Name: 1-[4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2,2-dimethyl-propan-1-one 1-[4-[(4-methoxy-3,5-dimethyl-2-…
| 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) | 2.96 | 7.57 | -34.18 | 1 | 5 | 1 | 47 | 334.484 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 7.12 | -12.17 | 0 | 5 | 0 | 46 | 333.476 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.1 | -40.98 | 1 | 5 | 1 | 47 | 334.484 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
