In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 16 | Yes |
Popular Name: 1-(2,4-dihydroxyphenyl)-2-[methyl(propyl)amino]ethanone 1-(2,4-dihydroxyphenyl)-2-[methy…
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) | 1.81 | 3.5 | -43.26 | 3 | 4 | 1 | 62 | 224.28 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 2.25 | -52.86 | 1 | 4 | -1 | 64 | 222.264 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 1.25 | -9.64 | 2 | 4 | 0 | 61 | 223.272 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 4.51 | -58.35 | 2 | 4 | 0 | 65 | 223.272 | 5 | ↓ |