| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-cyclopentyl-N-ethyl-ethane-1,2-diamine (1S)-1-(7-bromo-1,3-benzodioxol-…
| 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) | 3.13 | 6.29 | -130.52 | 4 | 4 | 2 | 51 | 357.292 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 5.92 | -33.82 | 3 | 4 | 1 | 49 | 356.284 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 4.68 | -50.48 | 3 | 4 | 1 | 49 | 356.284 | 5 | ↓ |
