| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: 4-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]quinazoline 4-[(3R)-3-ethyl-4-(2-methoxyethy…
| 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) | 2.50 | 9.89 | -90.46 | 2 | 5 | 2 | 44 | 302.422 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 7.86 | -7.58 | 0 | 5 | 0 | 41 | 300.406 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 9.44 | -39.06 | 1 | 5 | 1 | 43 | 301.414 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 8.33 | -28.89 | 1 | 5 | 1 | 43 | 301.414 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 9.91 | -79.7 | 2 | 5 | 2 | 44 | 302.422 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
