| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 27 | Yes |
Popular Name: N6-(2-morpholinoethyl)-N4-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine N6-(2-morpholinoethyl)-N4-[3-(tr…
| 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) | 3.15 | 5.24 | -8.61 | 2 | 7 | 0 | 72 | 383.374 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 7.52 | -48.79 | 3 | 7 | 1 | 73 | 384.382 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 4.91 | -36.35 | 3 | 7 | 1 | 73 | 384.382 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 7.19 | -96.41 | 4 | 7 | 2 | 74 | 385.39 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
