In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2009 | 20 | Yes |
Popular Name: 4-[(1R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-hydroxy-ethyl]benzonitrile 4-[(1R)-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) | 2.18 | 5.57 | -8.88 | 1 | 3 | 0 | 47 | 284.384 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.18 | 7.78 | -51.19 | 2 | 3 | 1 | 48 | 285.392 | 3 | ↓ |