| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: (1R)-N-methyl-1-phenyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (1R)-N-methyl-1-phenyl-2-(1,3,4,…
| 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) | 3.62 | 9.47 | -35.42 | 2 | 2 | 1 | 16 | 281.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 7.73 | -3.32 | 1 | 2 | 0 | 15 | 280.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 8.91 | -44.6 | 2 | 2 | 1 | 20 | 281.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 10.66 | -120.89 | 3 | 2 | 2 | 21 | 282.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
