| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 22 | Yes |
Popular Name: (2S)-3-[4-(2-isopropoxyphenyl)piperazin-1-yl]-2-methoxy-propan-1-amine (2S)-3-[4-(2-isopropoxyphenyl)pi…
| 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) | 1.46 | 4.8 | -43.67 | 3 | 5 | 1 | 53 | 308.446 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 5.91 | -33.44 | 3 | 5 | 1 | 52 | 308.446 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 4.44 | -4.1 | 2 | 5 | 0 | 51 | 307.438 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 6.28 | -106.44 | 4 | 5 | 2 | 54 | 309.454 | 7 | ↓ |
