| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 27 | No |
Popular Name: Adenosine-5'-Diphosphate Adenosine-5'-Diphosphate
Find On: PubMed — Wikipedia — Google
CAS Number: 16178-48-6
| 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) | -2.53 | -3.75 | -249.53 | 4 | 15 | -3 | 241 | 424.179 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.53 | -4.91 | -130.17 | 5 | 15 | -2 | 238 | 425.187 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.27e+00 g/l | DrugBank-experimental |
| PUBCHEM_PATENT_ID | EP0009076A1; EP0015437A1; EP0049475A2; EP0137677A1; EP0200539A2; EP0200540A2; EP0200540B1; EP0202094A2; EP0216864A1; EP0216864B1; EP0228174A1; EP0228174B1; EP0239222A1; EP0247819A2; EP0247819B1; EP0250068A1; EP0250068B1; EP0253520A2; EP0253520B1; EP055382 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.