| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: (5-amino-2-methyl-3-pyridyl)-(1,4-thiazepan-4-yl)methanone (5-amino-2-methyl-3-pyridyl)-(1,…
| 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) | 0.34 | 3.66 | -9.21 | 2 | 4 | 0 | 59 | 251.355 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.34 | 4.07 | -35.37 | 3 | 4 | 1 | 60 | 252.363 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
