In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 25 | Yes |
Popular Name: N4-ethyl-6-(4-ethylpiperazin-1-yl)-N4-(m-tolyl)pyrimidine-4,5-diamine N4-ethyl-6-(4-ethylpiperazin-1-y…
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) | 2.86 | 11.29 | -94.15 | 4 | 6 | 2 | 64 | 342.491 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 8.59 | -5.78 | 2 | 6 | 0 | 62 | 340.475 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 10.82 | -38.91 | 3 | 6 | 1 | 63 | 341.483 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 11.29 | -82.47 | 4 | 6 | 2 | 64 | 342.491 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.