| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: 3-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-2-thienyl]prop-2-yn-1-amine 3-[5-(1,3,4,5-tetrahydro-2-benza…
| 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) | 2.79 | 9.33 | -41.48 | 3 | 2 | 1 | 30 | 297.447 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 7.23 | -6.98 | 2 | 2 | 0 | 29 | 296.439 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 9.73 | -93.67 | 4 | 2 | 2 | 32 | 298.455 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 7.64 | -48.18 | 3 | 2 | 1 | 31 | 297.447 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
