| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-[(4-bromophenyl)methyl]-1-isopropyl-N-methyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-[(4-bromo…
| 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) | 2.25 | 6.57 | -114.53 | 4 | 3 | 2 | 35 | 342.325 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 4.63 | -49.36 | 3 | 3 | 1 | 34 | 341.317 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 5.69 | -36.57 | 3 | 3 | 1 | 34 | 341.317 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 8.3 | -241.49 | 5 | 3 | 3 | 37 | 343.333 | 5 | ↓ |
