| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-isopropyl-N-methyl-N-[(1R)-1-methylbutyl]pyrrolidin-3-amine (3S)-3-(aminomethyl)-1-isopropyl…
| 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) | 1.81 | 6.1 | -91.65 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 1.67 | -40.77 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 3.8 | -29.74 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 2.34 | -26.06 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 2.76 | -113.28 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 5.95 | -213.29 | 5 | 3 | 3 | 37 | 244.447 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 4.13 | -103.84 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
