| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: [(3S)-1-isopropyl-3-(4-isopropylpiperazin-1-yl)pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-(4-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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.60 | 4.98 | -184.1 | 5 | 4 | 3 | 40 | 271.473 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 0.21 | -41.51 | 3 | 4 | 1 | 37 | 269.457 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 2.27 | -30.45 | 3 | 4 | 1 | 37 | 269.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 2.78 | -105.46 | 4 | 4 | 2 | 39 | 270.465 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 2.41 | -97.46 | 4 | 4 | 2 | 39 | 270.465 | 4 | ↓ |
