| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 26 | Yes |
Popular Name: 3-[[(4S)-2-chloro-4H-purin-6-yl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide 3-[[(4S)-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) | 0.61 | 0.37 | -39.14 | 1 | 9 | -1 | 111 | 373.78 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.61 | 0.9 | -13.64 | 2 | 9 | 0 | 109 | 374.788 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
