In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 28 | Yes |
Popular Name: (2R)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-3-methyl-butanamide (2R)-2-amino-N-[1-(6,7-dimethoxy…
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) | 0.87 | 5.48 | -48.66 | 4 | 8 | 1 | 104 | 388.492 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.87 | 5.66 | -12.11 | 3 | 8 | 0 | 103 | 387.484 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 6.46 | -84.89 | 5 | 8 | 2 | 105 | 389.5 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.87 | 6.46 | -89.44 | 5 | 8 | 2 | 105 | 389.5 | 6 | ↓ |