| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 19 | Yes |
Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)pyridin-2-amine 4-(3,5-dihydro-2H-1,4-benzoxazep…
| 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) | 1.55 | 4.01 | -7.04 | 2 | 4 | 0 | 51 | 255.321 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 4.49 | -34.11 | 3 | 4 | 1 | 53 | 256.329 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 6.11 | -41.65 | 3 | 4 | 1 | 53 | 256.329 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 6.58 | -99.07 | 4 | 4 | 2 | 54 | 257.337 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
