| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: N-methyl-2-[(2S)-1-quinazolin-4-yl-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-quinazolin-4-…
| 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) | 2.71 | 8.31 | -40.74 | 2 | 4 | 1 | 46 | 271.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 8.78 | -89.18 | 3 | 4 | 2 | 47 | 272.396 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.71 | 8.78 | -85.94 | 3 | 4 | 2 | 47 | 272.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
