In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 19 | Yes |
Popular Name: (3R)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenyl-propanenitrile (3R)-3-(6,7-dihydro-4H-thieno[3,…
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) | 2.65 | 8.17 | -8.08 | 0 | 2 | 0 | 27 | 268.385 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.65 | 10.29 | -41.05 | 1 | 2 | 1 | 28 | 269.393 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.