In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | No |
Popular Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(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) | 2.01 | 10.47 | -11.1 | 1 | 4 | 0 | 37 | 280.422 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.74 | 10.63 | -45.1 | 0 | 4 | -1 | 34 | 279.414 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.