| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 16 | No |
Popular Name: 1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3-ethyl-3,4-dihydro- (9CI) 1H-2-Benzopyran-5,6-diol, 1-(ami…
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CAS Number: 769889-24-9
| 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) | 0.78 | -0.65 | -49.63 | 5 | 4 | 1 | 77 | 224.28 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | -1.11 | -6.41 | 4 | 4 | 0 | 76 | 223.272 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.