| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 23 | Yes |
Popular Name: 2-[[(4R)-2-(3-chloro-4-methoxy-anilino)-4H-purin-6-yl]amino]ethanol 2-[[(4R)-2-(3-chloro-4-methoxy-a…
| 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) | 0.93 | 2.11 | -41.29 | 4 | 8 | 1 | 105 | 335.775 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | -0.36 | -104.09 | 1 | 8 | -2 | 107 | 332.751 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 0.61 | -45.12 | 2 | 8 | -1 | 105 | 333.759 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 1.34 | -25.45 | 3 | 8 | 0 | 107 | 334.767 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 1.3 | -12.88 | 3 | 8 | 0 | 103 | 334.767 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 1.51 | -30.65 | 4 | 8 | 1 | 105 | 335.775 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
