In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2010 | 25 | Yes |
Popular Name: 1-[3-[(2R)-2-hydroxy-3-(4-isopentylpiperazin-1-yl)propoxy]phenyl]ethanone 1-[3-[(2R)-2-hydroxy-3-(4-isopen…
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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) | 2.80 | 6.39 | -44.65 | 2 | 5 | 1 | 54 | 349.495 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 4.11 | -13.13 | 1 | 5 | 0 | 53 | 348.487 | 9 | ↓ |