| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | Yes |
Popular Name: 1-methyl-3-prop-2-ynyl-1-(1-quinazolin-4-yl-4-piperidyl)urea 1-methyl-3-prop-2-ynyl-1-(1-quin…
| 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) | 2.54 | 8.77 | -11.29 | 1 | 6 | 0 | 61 | 323.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 9.23 | -35.65 | 2 | 6 | 1 | 63 | 324.408 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 9.24 | -36.47 | 2 | 6 | 1 | 63 | 324.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
