| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: [(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(3,4-dihydro-1H-isoquino…
| 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) | 1.43 | 7.69 | -103.99 | 4 | 3 | 2 | 35 | 275.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 4.62 | -45.38 | 3 | 3 | 1 | 34 | 274.432 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.4 | -30.22 | 3 | 3 | 1 | 34 | 274.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.72 | -119.66 | 4 | 3 | 2 | 35 | 275.44 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 8.09 | -234.02 | 5 | 3 | 3 | 37 | 276.448 | 3 | ↓ |
