| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: 2,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyrazol-3-amine 2,5-dimethyl-4-(1,3,4,5-tetrahyd…
| 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) | 1.86 | 7.98 | -95.91 | 4 | 4 | 2 | 50 | 272.396 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 5.78 | -7.55 | 2 | 4 | 0 | 47 | 270.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 5.91 | -29.37 | 3 | 4 | 1 | 48 | 271.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 7.85 | -38.59 | 3 | 4 | 1 | 48 | 271.388 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
