| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 11 | Yes |
Popular Name: 6-Amino-1H-purin-2(7H)-one sulfate 6-Amino-1H-purin-2(7H)-one sulfate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3373-53-3 , 49722-90-9
| 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) | -0.12 | -0.82 | -55.23 | 5 | 6 | 1 | 102 | 152.137 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | -3.23 | -62.94 | 3 | 6 | -1 | 104 | 150.121 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | -2.46 | -35.05 | 3 | 6 | -1 | 104 | 150.121 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | -1.32 | -19.87 | 4 | 6 | 0 | 100 | 151.129 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | -0.82 | -57.04 | 5 | 6 | 1 | 102 | 152.137 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 300 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0219838A2; EP0236935A2; EP0521463A2; EP0521463A3; EP0866865A1; EP1019497A1; US5631259; WO1997018312A1; WO1998058057A1; WO1998058058A1; WO1999033971A1 | IBM Patent Data |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.