In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 16 | No |
Popular Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3,4-thiadiazole-2-thione 3-(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) | 1.67 | 5.61 | -12.03 | 0 | 3 | 0 | 21 | 269.42 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 7.88 | -40.43 | 1 | 3 | 1 | 22 | 270.428 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.