| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 19 | Yes |
Popular Name: (3R)-3-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (3R)-3-[(5-methyl-4H-1,2,4-triaz…
| 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) | 1.70 | 6.03 | -11.01 | 2 | 5 | 0 | 71 | 274.349 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 3.48 | -44.02 | 1 | 5 | -1 | 72 | 273.341 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 5.82 | -13.66 | 2 | 5 | 0 | 71 | 274.349 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 3.64 | -10.98 | 2 | 5 | 0 | 74 | 274.349 | 2 | ↓ |
