In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | Yes |
Popular Name: [2-(3,3-dimethylmorpholin-4-yl)-3-quinolyl]methanamine [2-(3,3-dimethylmorpholin-4-yl)-…
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) | 2.15 | 4.9 | -52.33 | 3 | 4 | 1 | 53 | 272.372 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 4.5 | -6.35 | 2 | 4 | 0 | 51 | 271.364 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 5.35 | -102.13 | 4 | 4 | 2 | 54 | 273.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.