| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S)-N-[(4-bromophenyl)methyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(4-bromophenyl)methyl]-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) | 3.13 | 8.65 | -117.68 | 3 | 2 | 2 | 21 | 299.256 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 5.05 | -1.93 | 1 | 2 | 0 | 15 | 297.24 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 7.51 | -33.43 | 2 | 2 | 1 | 16 | 298.248 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 6.19 | -44.41 | 2 | 2 | 1 | 20 | 298.248 | 4 | ↓ |
