In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 22 | No |
Popular Name: 2-[4-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)piperazin-1-yl]ethanol 2-[4-(1,3-dihydrothieno[3,4-b]qu…
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) | 2.25 | 4.92 | -28.49 | 2 | 4 | 1 | 41 | 316.45 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.53 | -6.97 | 1 | 4 | 0 | 40 | 315.442 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 7.21 | -83.82 | 3 | 4 | 2 | 42 | 317.458 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.