| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 21 | Yes |
Popular Name: 1-[4-(5-amino-2-methyl-pyridine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(5-amino-2-methyl-pyridine-…
| 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) | 0.05 | 4.25 | -16.38 | 2 | 6 | 0 | 80 | 290.367 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 4.67 | -47.63 | 3 | 6 | 1 | 81 | 291.375 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
