| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 18 | Yes |
Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone 2-[cyclopentyl(methyl)amino]-1-(…
| 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) | 2.33 | 4.64 | -41.93 | 3 | 4 | 1 | 62 | 250.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 3.46 | -52.91 | 1 | 4 | -1 | 64 | 248.302 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 5.65 | -55.89 | 2 | 4 | 0 | 65 | 249.31 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 2.45 | -9.43 | 2 | 4 | 0 | 61 | 249.31 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
