| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 19 | Yes |
Popular Name: (6S)-N6-(3-chloro-4-fluoro-phenyl)-6H-purine-2,6-diamine (6S)-N6-(3-chloro-4-fluoro-pheny…
| 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) | 1.68 | 4.43 | -14.11 | 3 | 6 | 0 | 88 | 278.678 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 4.43 | -37.11 | 4 | 6 | 1 | 90 | 279.686 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 4.47 | -41.5 | 4 | 6 | 1 | 88 | 279.686 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
