| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: 3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridine-2-carboxylic 3-(1,3,4,5-tetrahydro-2-benzazep…
| 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) | 2.39 | 9.79 | -45.35 | 1 | 4 | 0 | 57 | 282.343 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 8.3 | -55.68 | 0 | 4 | -1 | 56 | 281.335 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 10.19 | -60.45 | 2 | 4 | 1 | 59 | 283.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
