| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | No |
Popular Name: (3S)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)tetrahydrofuran-3-carbaldehyde (3S)-3-(1,3,4,5-tetrahydro-2-ben…
| 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) | 2.26 | 6.88 | -45.55 | 1 | 3 | 1 | 31 | 260.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 4.81 | -7.19 | 0 | 3 | 0 | 30 | 259.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
