| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2008 | 24 | Yes |
Popular Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]phenol 2-[[(3S)-3-(2-hydroxyethyl)-4-(1…
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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) | 1.62 | 1.02 | -34.82 | 3 | 5 | 1 | 51 | 334.484 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 1.27 | -41.89 | 3 | 5 | 1 | 51 | 334.484 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.62 | 3.43 | -102.28 | 4 | 5 | 2 | 53 | 335.492 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.62 | 3.63 | -86.41 | 4 | 5 | 2 | 53 | 335.492 | 5 | ↓ |
