In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | Yes |
Popular Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-chromen-4-one 8-[(4-benzylpiperazin-1-yl)methy…
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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) | 4.89 | 11.89 | -51.65 | 2 | 7 | 1 | 77 | 501.603 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.89 | 10.38 | -47.81 | 0 | 7 | -1 | 78 | 499.587 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.89 | 9.62 | -15.48 | 1 | 7 | 0 | 75 | 500.595 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.89 | 11.87 | -50.3 | 2 | 7 | 1 | 77 | 501.603 | 8 | ↓ |