In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 19 | Yes |
Popular Name: 1-[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(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) | 0.95 | 6.18 | -102.27 | 3 | 5 | 2 | 52 | 279.413 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 4.01 | -45.13 | 2 | 5 | 1 | 51 | 278.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.