| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 18 | Yes |
Popular Name: (2S)-2-(7-bromo-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethanamine (2S)-2-(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) | 1.76 | 4.8 | -127.6 | 4 | 4 | 2 | 51 | 315.211 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 4.46 | -39.26 | 3 | 4 | 1 | 49 | 314.203 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 2.73 | -49.57 | 3 | 4 | 1 | 49 | 314.203 | 3 | ↓ |
