| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-ethyl-N-isobutyl-1-isopropyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-ethyl-N-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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 1.54 | 2.97 | -40.82 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 4.68 | -28.73 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 6.24 | -90.72 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.92 | -118.47 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.56 | -28.07 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 6.62 | -215.08 | 5 | 3 | 3 | 37 | 244.447 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 4.31 | -102.24 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
