| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: (1S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-phenyl-propan-1-amine (1S)-3-(3,5-dihydro-2H-1,4-benzo…
| 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) | 1.00 | 6.02 | -50.98 | 3 | 3 | 1 | 40 | 283.395 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 5.73 | -4.98 | 2 | 3 | 0 | 38 | 282.387 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 7.81 | -36.75 | 3 | 3 | 1 | 40 | 283.395 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 8.12 | -128.97 | 4 | 3 | 2 | 41 | 284.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
