| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 23 | Yes |
Popular Name: 2-[[(4R)-2-chloro-4H-purin-6-yl]amino]-N-(3-imidazol-1-ylpropyl)acetamide 2-[[(4R)-2-chloro-4H-purin-6-yl]…
| 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) | -0.42 | 1.64 | -56.17 | 2 | 9 | 0 | 112 | 334.771 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 1.13 | -39.41 | 1 | 9 | -1 | 110 | 333.763 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.42 | 2.15 | -48.35 | 3 | 9 | 1 | 110 | 335.779 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
