| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 17 | Yes |
Popular Name: (1S,2S)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentanamine (1S,2S)-2-(3,5-dihydro-2H-1,4-be…
| 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) | 1.37 | 3.21 | -47.49 | 3 | 3 | 1 | 40 | 233.335 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 3.09 | -3.94 | 2 | 3 | 0 | 38 | 232.327 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 5.12 | -32.29 | 3 | 3 | 1 | 40 | 233.335 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 5.24 | -119.1 | 4 | 3 | 2 | 41 | 234.343 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
