| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | Yes |
Popular Name: (2S)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-(3-thienyl)ethanamine (2S)-2-(1,3,4,5-tetrahydro-2-ben…
| 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) | 2.23 | 6.67 | -42.75 | 3 | 2 | 1 | 31 | 273.425 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 5.39 | -3.33 | 2 | 2 | 0 | 29 | 272.417 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 8.01 | -30.15 | 3 | 2 | 1 | 30 | 273.425 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.23 | 7.78 | -123.92 | 4 | 2 | 2 | 32 | 274.433 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
