| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 16 | Yes |
Popular Name: Ethanone, 2-[(1-methylethyl)amino]-1-(2,4,6-trihydroxyphenyl)- (9CI) Ethanone, 2-[(1-methylethyl)amin…
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CAS Number: 761338-91-4
| 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) | 1.27 | -0.99 | -41.56 | 5 | 5 | 1 | 94 | 226.252 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | -0.27 | -28.9 | 4 | 5 | 0 | 97 | 225.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | -2.17 | -10.07 | 4 | 5 | 0 | 90 | 225.244 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.27 | -1.45 | -37.35 | 3 | 5 | -1 | 93 | 224.236 | 4 | ↓ |
