In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | No |
Popular Name: N-methyl-N-[2-(4-pyridyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine N-methyl-N-[2-(4-pyridyl)ethyl]-…
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) | 3.50 | 10.82 | -31.45 | 1 | 3 | 1 | 30 | 322.457 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 10.45 | -8.75 | 0 | 3 | 0 | 29 | 321.449 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 11.28 | -74.25 | 2 | 3 | 2 | 32 | 323.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.