In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 22 | Yes |
Popular Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(3-hydroxyphenyl)methylamino]propan-1-one 1-(6,7-dihydro-4H-thieno[3,2-c]p…
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) | 1.88 | 5.95 | -52.52 | 3 | 4 | 1 | 57 | 317.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 4.6 | -10.18 | 2 | 4 | 0 | 53 | 316.426 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.