| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: Purine Purine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 120-73-0 , 149297-77-8 , [120-73-0]
| 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) | -0.18 | 3.19 | -13.97 | 1 | 4 | 0 | 54 | 120.115 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 3.68 | -41.26 | 2 | 4 | 1 | 56 | 121.123 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 215-217° | Matrix Scientific |
| MP | 216 | TCI |
| UniProt Database Links | 5N3BA_XENLA; 5N3BB_XENLA; 5NT3B_CHICK; 5NT3B_DROME; 5NT3B_HUMAN; 5NT3B_MOUSE; 5NT3B_RAT; 5NTC_BOVIN; 5NTC_CHICK; 5NTC_DICDI; 5NTC_HUMAN; 5NTC_MOUSE; 5NTC_PONAB; 5NTC_XENLA; 5NTC_XENTR; 8ODP_HUMAN; 8ODP_MOUSE; 8ODP_RAT; AAH_ARATH; AAH_ORYSJ; ADA2_CHICK; AD | ChEBI |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0253412A2; EP0269947B2; EP0452935B1; EP0494370A1; EP0494370B1; EP0693480A1; EP0719274A1; EP0754046A1; EP0811629A1; US5142051; US5208221; US5302585; US5386030; US5393879; US5591851; US5641763; US5721264; US5756486; US5817828; US5840909; US5846991; US5869 | IBM Patent Data |
| Patent Database Links | EP0791849; EP0985662; EP1113329; EP1333321; EP1357103; EP1555264; EP1707200; EP1854786; US2002115067; US2002198195; US2003229083; US2004002521; US2004029886; US2004059120; US2004235023; US2005113368; US2005192310; US2005222153; US2006030713; US2006058304 | ChEBI |
| PUBCHEM_PATENT_ID | EP0915865A1; US5834575; US6051722; WO1998003497A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US4179469; US4220764 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US4690922; WO2000037422A2; WO2000043397A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.