| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: N,2,5-trimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyrazol-3-amine N,2,5-trimethyl-4-(1,3,4,5-tetra…
| 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) | 2.23 | 6.52 | -28.44 | 2 | 4 | 1 | 34 | 285.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 6.39 | -7.57 | 1 | 4 | 0 | 33 | 284.407 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.23 | 8.46 | -38.25 | 2 | 4 | 1 | 34 | 285.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 8.59 | -94.55 | 3 | 4 | 2 | 36 | 286.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
