| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 21 | Yes |
Popular Name: 4-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]quinazoline 4-[(3R)-4-(2-methoxyethyl)-3-met…
| 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) | 1.97 | 7.17 | -26.6 | 1 | 5 | 1 | 43 | 287.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 7.19 | -29.17 | 1 | 5 | 1 | 43 | 287.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 8.83 | -38.68 | 1 | 5 | 1 | 43 | 287.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 6.72 | -7.8 | 0 | 5 | 0 | 41 | 286.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 9.28 | -89.9 | 2 | 5 | 2 | 44 | 288.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
