| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 16 | No |
Popular Name: 1H-Indene-5,6-diol, 2-(diethylamino)-2,3-dihydro- (9CI) 1H-Indene-5,6-diol, 2-(diethylam…
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CAS Number: 747363-53-7
| 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) | 1.89 | 3.87 | -41.36 | 3 | 3 | 1 | 45 | 222.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 1.71 | -7.78 | 2 | 3 | 0 | 44 | 221.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 4.8 | -62.12 | 2 | 3 | 0 | 48 | 221.3 | 3 | ↓ |
