| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-isopropyl-N-methyl-N-[(1R,3S)-3-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) | 1.95 | 3.01 | -43.68 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 5.11 | -29.1 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 7.46 | -96.4 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.23 | -114.63 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.07 | -29.59 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 7.62 | -220.13 | 5 | 3 | 3 | 37 | 270.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 5.36 | -105.75 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
