| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-N-[(1S)-2-(4-bromophenyl)-1-methyl-ethyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(1S)-2-(4-bromophenyl)-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) | 3.86 | 9.98 | -108.9 | 3 | 2 | 2 | 21 | 327.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 6.58 | -1.74 | 1 | 2 | 0 | 15 | 325.294 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 8.97 | -30.66 | 2 | 2 | 1 | 16 | 326.302 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 7.6 | -39.65 | 2 | 2 | 1 | 20 | 326.302 | 5 | ↓ |
