| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | No |
Popular Name: [(3S)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,1-dioxo-thian-3-yl]methanamine [(3S)-3-(3,5-dihydro-2H-1,4-benz…
| 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) | 0.28 | 0.83 | -55.89 | 3 | 5 | 1 | 74 | 311.427 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | 0.12 | -13.22 | 2 | 5 | 0 | 73 | 310.419 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
