In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 18 | Yes |
Popular Name: 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiazol-2-yl]-N-methyl-methanamine 1-[4-(6,7-dihydro-4H-thieno[3,2-…
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) | 1.47 | 4.66 | -41.04 | 2 | 3 | 1 | 33 | 280.442 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 3.22 | -6.79 | 1 | 3 | 0 | 28 | 279.434 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 6.86 | -95.02 | 3 | 3 | 2 | 34 | 281.45 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.