| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 18 | No |
Popular Name: 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)thiazol-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) | 1.79 | 3.13 | -7.79 | 2 | 4 | 0 | 51 | 261.35 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 3.86 | -32.03 | 3 | 4 | 1 | 53 | 262.358 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.2 | -35.02 | 3 | 4 | 1 | 53 | 262.358 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 5.99 | -102.22 | 4 | 4 | 2 | 54 | 263.366 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
