| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 11 | Yes |
Popular Name: 3-Methyl-3H-purin-6-amine 3-Methyl-3H-purin-6-amine
Find On: PubMed — Wikipedia — Google
CAS Number: 5142-23-4
| 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) | -1.76 | 3.83 | -35.11 | 3 | 5 | 1 | 72 | 150.165 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.76 | 3.87 | -13.83 | 2 | 5 | 0 | 70 | 149.157 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.76 | 3.42 | -45.12 | 1 | 5 | -1 | 69 | 148.149 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.76 | 3.34 | -20.04 | 2 | 5 | 0 | 70 | 149.157 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 300 | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.