| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 24 | Yes |
Popular Name: N4-ethyl-6-(4-methylpiperazin-1-yl)-N4-(m-tolyl)pyrimidine-4,5-diamine N4-ethyl-6-(4-methylpiperazin-1-…
| 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) | 2.48 | 10.59 | -83.22 | 4 | 6 | 2 | 64 | 328.464 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 8.23 | -27.53 | 3 | 6 | 1 | 63 | 327.456 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 10.14 | -40.73 | 3 | 6 | 1 | 63 | 327.456 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 10.6 | -94.32 | 4 | 6 | 2 | 64 | 328.464 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 7.78 | -6.48 | 2 | 6 | 0 | 62 | 326.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
