| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: (1R,2R)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-(3-thienyl)propan-2-amine (1R,2R)-1-(1,3,4,5-tetrahydro-2-…
| 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) | 2.63 | 7.01 | -44.58 | 3 | 2 | 1 | 31 | 287.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 6.69 | -2.05 | 2 | 2 | 0 | 29 | 286.444 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 8.19 | -32.75 | 3 | 2 | 1 | 30 | 287.452 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.63 | 8.45 | -118.57 | 4 | 2 | 2 | 32 | 288.46 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
