| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 21 | Yes |
Popular Name: (3S)-N-[(5S)-8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1-cyclopropyl-pyrrolidin-3-amine (3S)-N-[(5S)-8-bromo-2,3,4,5-tet…
| 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) | 2.49 | 8.99 | -31.19 | 2 | 3 | 1 | 26 | 352.296 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 6.58 | -2.28 | 1 | 3 | 0 | 24 | 351.288 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 7.17 | -36.75 | 2 | 3 | 1 | 29 | 352.296 | 3 | ↓ |
