| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 12 | Yes |
Popular Name: 6-Hydroxy-1H-indole-4-carbonitrile 6-Hydroxy-1H-indole-4-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1082040-53-6 , [1082040-53-6]
| 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) | 1.34 | 2.06 | -8.93 | 2 | 3 | 0 | 60 | 158.16 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 2.81 | -41.92 | 1 | 3 | -1 | 63 | 157.152 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 2.67 | -44.62 | 0 | 3 | -1 | 59 | 157.152 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 2.34 | -45.32 | 2 | 3 | 1 | 58 | 159.168 | 0 | ↓ |
