In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 28 | No |
Popular Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(3-pyridyl)oxamide N-[2-[4-(2-methoxyphenyl)piperaz…
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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) | 0.78 | 5.12 | -46.78 | 3 | 8 | 1 | 88 | 384.46 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 2.04 | -49.53 | 1 | 8 | -1 | 93 | 382.444 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 2.91 | -9.69 | 2 | 8 | 0 | 87 | 383.452 | 7 | ↓ |