In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | Yes |
Popular Name: (3R)-3-amino-4-[4-(2-furylmethyl)piperazin-1-yl]-4-oxo-butanamide (3R)-3-amino-4-[4-(2-furylmethyl…
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) | -0.70 | -1.97 | -42.11 | 5 | 7 | 1 | 107 | 281.336 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.70 | -2.31 | -13.33 | 4 | 7 | 0 | 106 | 280.328 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 0.26 | -101.46 | 6 | 7 | 2 | 109 | 282.344 | 5 | ↓ |