| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]ethanone 1-(3,4-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) | 1.40 | 3.4 | -46.42 | 3 | 5 | 1 | 71 | 280.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 2.06 | -46.03 | 1 | 5 | -1 | 73 | 278.328 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 1.14 | -13.12 | 2 | 5 | 0 | 70 | 279.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
