| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2013 | 12 | Yes |
Popular Name: 2-Amino-8-chloro-1H-purin-6(7H)-one 2-Amino-8-chloro-1H-purin-6(7H)-one
Find On: PubMed — Wikipedia — Google
CAS Number: 22052-03-5
| 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) | -0.21 | -6.37 | -34.86 | 2 | 6 | -1 | 100 | 184.566 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | -3.76 | -9.59 | 3 | 6 | 0 | 93 | 185.574 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.21 | -6.09 | -38.63 | 3 | 6 | 0 | 101 | 185.574 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.