| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 17 | Yes |
Popular Name: 2-[2-(hydroxymethyl)-1H-pyrrol-1-yl]-4-methoxynicotinonitrile 2-[2-(hydroxymethyl)-1H-pyrrol-1…
Find On: PubMed — Wikipedia — Google
CAS Number: 338411-81-7
| 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) | 0.99 | 3.36 | -13.46 | 1 | 5 | 0 | 71 | 229.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 3.64 | -47.48 | 2 | 5 | 1 | 72 | 230.247 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
