| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2011 | 21 | No |
Popular Name: 4-bromo-2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]phenol 4-bromo-2-[(Z)-2-(6,7-dihydro-4H…
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| 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) | 3.80 | 5.01 | -39.87 | 2 | 3 | 1 | 37 | 366.304 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 5.99 | -40.4 | 0 | 3 | -1 | 39 | 364.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 5.21 | -5.39 | 1 | 3 | 0 | 36 | 365.296 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 3.99 | -6.82 | 1 | 3 | 0 | 36 | 365.296 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 7.38 | -39.73 | 2 | 3 | 1 | 37 | 366.304 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 6.11 | -36.03 | 2 | 3 | 1 | 37 | 366.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 8.24 | -43.2 | 3 | 3 | 0 | 39 | 367.312 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.80 | 7.13 | -112.78 | 3 | 3 | 2 | 39 | 367.312 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7-tetrahydrothieno[3,2-c]pyridine](http://zinc12.docking.org/img/rings/1811.gif)
![Benzal-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amine](http://zinc12.docking.org/img/rings/384751.gif)