| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 20 | Yes |
Popular Name: (3aR,5S,7aS)-2-quinazolin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (3aR,5S,7aS)-2-quinazolin-4-yl-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) | 1.90 | 6.79 | -58.65 | 3 | 4 | 1 | 57 | 269.372 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 7.25 | -87.86 | 4 | 4 | 2 | 58 | 270.38 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
