| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: [(3S)-3-(4-tert-butylpiperazin-1-yl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(4-tert-butylpiperazin-1…
| 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) | 1.12 | 4.88 | -184.46 | 5 | 4 | 3 | 40 | 285.5 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 0.38 | -42.61 | 3 | 4 | 1 | 37 | 283.484 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 2.53 | -97.46 | 4 | 4 | 2 | 39 | 284.492 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 2.75 | -104.79 | 4 | 4 | 2 | 39 | 284.492 | 4 | ↓ |
