| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: (2S)-3-[4-[(6-methoxy-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-methyl-propan-1-amine (2S)-3-[4-[(6-methoxy-2-pyridyl)…
| 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) | 0.68 | 1.45 | -45.71 | 3 | 5 | 1 | 56 | 293.435 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 3.25 | -92.6 | 4 | 5 | 2 | 57 | 294.443 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 3.13 | -106.15 | 4 | 5 | 2 | 57 | 294.443 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
