| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | Yes |
Popular Name: (1S)-1-(3-bromo-4-methoxy-phenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-(3-bromo-4-methoxy-phenyl…
| 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) | 3.28 | 5.86 | -44.18 | 2 | 3 | 1 | 29 | 328.274 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 4.74 | -3.48 | 1 | 3 | 0 | 24 | 327.266 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 8.31 | -123.5 | 3 | 3 | 2 | 30 | 329.282 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 7.2 | -36.6 | 2 | 3 | 1 | 26 | 328.274 | 6 | ↓ |
