In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 23 | Yes |
Popular Name: 2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-7-methoxy-4-methyl-quinazoline 2-[(9aR)-1,3,4,6,7,8,9,9a-octahy…
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) | 3.54 | 10.59 | -38.48 | 1 | 5 | 1 | 43 | 313.425 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 8.35 | -11.3 | 0 | 5 | 0 | 41 | 312.417 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.54 | 10.88 | -89.6 | 2 | 5 | 2 | 44 | 314.433 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.