| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: [(3S)-1-isopropyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-(4-methylpip…
| 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) | -0.07 | 3.47 | -182.62 | 5 | 4 | 3 | 40 | 243.419 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | 0.41 | -32.36 | 3 | 4 | 1 | 37 | 241.403 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | -1.26 | -42.84 | 3 | 4 | 1 | 37 | 241.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | 1.12 | -98.42 | 4 | 4 | 2 | 39 | 242.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.07 | 1.11 | -104.67 | 4 | 4 | 2 | 39 | 242.411 | 3 | ↓ |
