| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | Yes |
Popular Name: (2S,3S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-isobutyl-pyrrolidin-3-amine (2S,3S)-2-(3,4-dihydro-2H-1,5-be…
| 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) | 1.82 | 5.57 | -41.25 | 3 | 4 | 1 | 49 | 291.415 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 7.16 | -116.35 | 4 | 4 | 2 | 51 | 292.423 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.96 | -36.41 | 3 | 4 | 1 | 49 | 291.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
