In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 2nd, 2011 | 22 | No |
Popular Name: 2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]-4-methoxy-phenol 2-[(Z)-2-(6,7-dihydro-4H-thieno[…
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) | 3.04 | 3.68 | -38.01 | 2 | 4 | 1 | 47 | 317.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 3.88 | -6.72 | 1 | 4 | 0 | 45 | 316.426 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 2.65 | -8.32 | 1 | 4 | 0 | 45 | 316.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 6.05 | -39.73 | 2 | 4 | 1 | 46 | 317.434 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 4.77 | -35.66 | 2 | 4 | 1 | 46 | 317.434 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.04 | 6.91 | -46.54 | 3 | 4 | 0 | 48 | 318.442 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.04 | 5.8 | -109.95 | 3 | 4 | 2 | 48 | 318.442 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.