| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: [(3S)-1-isopropyl-3-(4-propylpiperazin-1-yl)pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-(4-propylpip…
| 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) | 0.81 | 5.21 | -185.92 | 5 | 4 | 3 | 40 | 271.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 2.44 | -30.5 | 3 | 4 | 1 | 37 | 269.457 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 0.39 | -41.56 | 3 | 4 | 1 | 37 | 269.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 2.95 | -105.58 | 4 | 4 | 2 | 39 | 270.465 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 2.64 | -99.14 | 4 | 4 | 2 | 39 | 270.465 | 5 | ↓ |
