| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2010 | 19 | Yes |
Popular Name: [(3S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidin-3-yl]methanamine [(3S)-1-(3,4-dihydro-2H-1,5-benz…
| 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) | 0.83 | 5.37 | -114.33 | 4 | 4 | 2 | 51 | 264.369 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 4.99 | -41.45 | 3 | 4 | 1 | 49 | 263.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
