| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2008 | 32 | Yes |
Popular Name: (3R,4R)-1-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol (3R,4R)-1-[(2-methyl-1H-indol-3-…
| 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) | 3.31 | 10.02 | -97.34 | 4 | 5 | 2 | 48 | 434.628 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 5.38 | -9.85 | 2 | 5 | 0 | 46 | 432.612 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 7.68 | -43.59 | 3 | 5 | 1 | 47 | 433.62 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 10.02 | -109.92 | 4 | 5 | 2 | 48 | 434.628 | 6 | ↓ |
