| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2012 | 20 | Yes |
Popular Name: (1R,2R)-1-[(4R)-4-isopropylazepan-1-yl]-1-(2-pyridyl)propan-2-amine (1R,2R)-1-[(4R)-4-isopropylazepa…
| 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) | 2.88 | 6.31 | -35.67 | 3 | 3 | 1 | 44 | 276.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 7.55 | -29.51 | 3 | 3 | 1 | 43 | 276.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 5.63 | -2.85 | 2 | 3 | 0 | 42 | 275.44 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 6.7 | -100.89 | 4 | 3 | 2 | 45 | 277.456 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.