| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-isopropyl-N-methyl-N-[(1S,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 | 2.72 | -43.92 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 4.96 | -30.22 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 7.41 | -95.76 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.01 | -29.16 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.32 | -109.79 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 7.69 | -215.68 | 5 | 3 | 3 | 37 | 270.485 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 5.44 | -104.32 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
