| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-(aminomethyl)-N-isobutyl-1-isopropyl-N-(2-methoxyethyl)pyrrolidin-3-amine (3S)-3-(aminomethyl)-N-isobutyl-…
| 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) | 1.15 | 2.68 | -40.12 | 3 | 4 | 1 | 43 | 272.457 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.38 | -102.62 | 4 | 4 | 2 | 45 | 273.465 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.2 | -31.04 | 3 | 4 | 1 | 43 | 272.457 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 5.56 | -92.78 | 4 | 4 | 2 | 44 | 273.465 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 4.24 | -113.06 | 4 | 4 | 2 | 45 | 273.465 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 3.89 | -27.62 | 3 | 4 | 1 | 43 | 272.457 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 1.91 | -1.76 | 2 | 4 | 0 | 42 | 271.449 | 8 | ↓ |
