| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (1R,2R)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-(3-thienyl)butan-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) | 3.16 | 7.88 | -44.09 | 3 | 2 | 1 | 31 | 301.479 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.59 | -1.83 | 2 | 2 | 0 | 29 | 300.471 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 9.27 | -30.5 | 3 | 2 | 1 | 30 | 301.479 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 9.21 | -119.1 | 4 | 2 | 2 | 32 | 302.487 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
