| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 24 | Yes |
Popular Name: 3-[[(4S)-2-chloro-4H-purin-6-yl]amino]-N-(2-morpholinoethyl)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) | -0.72 | -3.19 | -37.98 | 1 | 9 | -1 | 105 | 352.806 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.72 | -2.66 | -11.91 | 2 | 9 | 0 | 103 | 353.814 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | -0.92 | -59.92 | 2 | 9 | 0 | 106 | 353.814 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.72 | 0.04 | -54.41 | 3 | 9 | 1 | 104 | 354.822 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
