| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 25 | Yes |
Popular Name: 4-[[(4R)-2-chloro-4H-purin-6-yl]amino]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]butanamide 4-[[(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) | 0.47 | 1.9 | -56.42 | 2 | 8 | 0 | 97 | 365.869 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 2.85 | -45.97 | 3 | 8 | 1 | 95 | 366.877 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
