In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 24 | Yes |
Popular Name: 3-chloro-4-hydroxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]benzamide 3-chloro-4-hydroxy-N-[6-(4-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) | 2.48 | 5.92 | -45.93 | 3 | 6 | 1 | 70 | 347.826 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.35 | -42.2 | 1 | 6 | -1 | 72 | 345.81 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 3.57 | -12.34 | 2 | 6 | 0 | 69 | 346.818 | 3 | ↓ |