| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-isobutyl-1-isopropyl-N-methyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-isobutyl-…
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) | 1.16 | 6.18 | -95.91 | 4 | 3 | 2 | 35 | 229.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 2.15 | -42.37 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 3.61 | -29.83 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 3.78 | -27.24 | 3 | 3 | 1 | 34 | 228.404 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 3.64 | -118.43 | 4 | 3 | 2 | 35 | 229.412 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 6.07 | -219.47 | 5 | 3 | 3 | 37 | 230.42 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 3.99 | -102.52 | 4 | 3 | 2 | 35 | 229.412 | 5 | ↓ |
