| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 16 | Yes |
Popular Name: 2-[(3S)-pyrrolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine 2-[(3S)-pyrrolidin-3-yl]-1,3,4,5…
| 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) | 2.16 | 5.92 | -33.06 | 2 | 2 | 1 | 16 | 217.336 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 5.32 | -40.59 | 2 | 2 | 1 | 20 | 217.336 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 7.34 | -111.69 | 3 | 2 | 2 | 21 | 218.344 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
