In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 24 | Yes |
Popular Name: 2-[(2S)-1-phenethyl-4-(3-pyridylmethyl)piperazin-2-yl]ethanol 2-[(2S)-1-phenethyl-4-(3-pyridyl…
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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) | 1.83 | 6.31 | -44.74 | 2 | 4 | 1 | 41 | 326.464 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 4.06 | -6.97 | 1 | 4 | 0 | 40 | 325.456 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 6.21 | -42.09 | 2 | 4 | 1 | 41 | 326.464 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 6.68 | -90.62 | 3 | 4 | 2 | 42 | 327.472 | 7 | ↓ |