| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2011 | 26 | Yes |
Popular Name: Methyl 3-cyclohexyl-2-(2-hydroxyphenyl)-1H-indole-6-carboxylate Methyl 3-cyclohexyl-2-(2-hydroxy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 863578-50-1 , [863578-50-1]
| 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) | 5.53 | 9.49 | -7.63 | 2 | 4 | 0 | 62 | 349.43 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.70 | 10.12 | -61.12 | 0 | 4 | -1 | 62 | 348.422 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.53 | 10.24 | -45.14 | 1 | 4 | -1 | 65 | 348.422 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.70 | 10.13 | -61.16 | 0 | 4 | -1 | 62 | 348.422 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.70 | 9.79 | -31.59 | 2 | 4 | 1 | 61 | 350.438 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.70 | 9.82 | -32.18 | 2 | 4 | 1 | 61 | 350.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
