| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-isopropyl-N-methyl-N-(4-methylcyclohexyl)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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 1.72 | 2.35 | -40.19 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 4.86 | -30.3 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 7.34 | -99.14 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 6.38 | -121.89 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 4.95 | -27.8 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.72 | 7.58 | -224 | 5 | 3 | 3 | 37 | 270.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.72 | 5.21 | -105.48 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
