In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 19 | Yes |
Popular Name: 5-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1S)-1-(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) | 2.72 | 4.64 | -8.18 | 0 | 4 | 0 | 42 | 277.393 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 6.86 | -40.13 | 1 | 4 | 1 | 43 | 278.401 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.