| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 31 | Yes |
Popular Name: (3R,4R)-1-(1H-indol-3-ylmethyl)-4-(4-phenethylpiperazin-1-yl)piperidin-3-ol (3R,4R)-1-(1H-indol-3-ylmethyl)-…
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| 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) | 3.09 | 9.49 | -96.95 | 4 | 5 | 2 | 48 | 420.601 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 7.21 | -43.51 | 3 | 5 | 1 | 47 | 419.593 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 9.5 | -108.65 | 4 | 5 | 2 | 48 | 420.601 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 5 | -7.76 | 2 | 5 | 0 | 46 | 418.585 | 6 | ↓ |
