| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2014 | 13 | No |
Popular Name: 3H-Indol-3-one, 1,2-dihydro-2-(hydroxymethylene)-1-methyl- (9CI) 3H-Indol-3-one, 1,2-dihydro-2-(h…
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CAS Number: 698363-50-7
| 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) | 0.96 | 3.84 | -17.07 | 1 | 3 | 0 | 42 | 175.187 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -2.71 | 3.79 | -34.2 | 1 | 3 | 1 | 41 | 176.195 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.