| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-ethyl-1-isopropyl-N-[(1R)-2-methoxy-1-methyl-ethyl]pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-ethyl-1-i…
| 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) | 0.73 | 4.77 | -90.8 | 4 | 4 | 2 | 44 | 259.438 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 0.51 | -43.99 | 3 | 4 | 1 | 43 | 258.43 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 3.32 | -28.63 | 3 | 4 | 1 | 43 | 258.43 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 2.15 | -27.47 | 3 | 4 | 1 | 43 | 258.43 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 0.4 | -2.51 | 2 | 4 | 0 | 42 | 257.422 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 3.46 | -102.22 | 4 | 4 | 2 | 45 | 259.438 | 7 | ↓ |
