| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(4-pyridyl)methanamine (1S)-1-(7-bromo-3,4-dihydro-2H-1…
| 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) | 2.50 | 6.64 | -46.63 | 2 | 4 | 1 | 48 | 350.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 5.74 | -6.14 | 1 | 4 | 0 | 43 | 349.228 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.2 | -37.55 | 2 | 4 | 1 | 45 | 350.236 | 3 | ↓ |
