| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-isopropyl-N-methyl-N-[(1S)-1-methylpropyl]pyrrolidin-3-amine (3S)-3-(aminomethyl)-1-isopropyl…
None
| 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) | 1.25 | 4.86 | -91.78 | 4 | 3 | 2 | 35 | 229.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 1.38 | -37.44 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 3.51 | -29.82 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 3.86 | -100.3 | 4 | 3 | 2 | 35 | 229.412 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 2.86 | -27.34 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 5.37 | -216.77 | 5 | 3 | 3 | 37 | 230.42 | 5 | ↓ |
