In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 21 | Yes |
Popular Name: (2R)-N-isopentyl-2-[4-[2-(methylamino)-2-oxo-ethyl]piperazin-1-yl]propanamide (2R)-N-isopentyl-2-[4-[2-(methyl…
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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) | 0.93 | 2.35 | -39.02 | 3 | 6 | 1 | 66 | 299.439 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 2.28 | -37.97 | 3 | 6 | 1 | 66 | 299.439 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 0.11 | -11.87 | 2 | 6 | 0 | 65 | 298.431 | 7 | ↓ |