| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
Popular Name: [1,3-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazol-4-yl]methanamine [1,3-dimethyl-5-(1,3,4,5-tetrahy…
| 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 | 6.78 | -48.38 | 3 | 4 | 1 | 49 | 271.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 6.44 | -5.77 | 2 | 4 | 0 | 47 | 270.38 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 6.51 | -24.58 | 3 | 4 | 1 | 48 | 271.388 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 6.91 | -103.79 | 4 | 4 | 2 | 50 | 272.396 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
