| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 16 | No |
Popular Name: 7-(2-Hydroxyethyl)theophylline 7-(2-Hydroxyethyl)theophylline
Find On: PubMed — Wikipedia — Google
CAS Number: 519-37-9
| 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) | -1.51 | -0.22 | -9.6 | 1 | 7 | 0 | 76 | 226.236 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.51 | 0.81 | -42.68 | 2 | 7 | 1 | 78 | 227.244 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 163 | TCI |
No pre-computed analogs available. Try a structural similarity search.