In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 19 | Yes |
Popular Name: N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[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) | 1.84 | 5.52 | -40.07 | 2 | 3 | 1 | 33 | 294.469 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 4.15 | -6.56 | 1 | 3 | 0 | 28 | 293.461 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.84 | 7.72 | -94.64 | 3 | 3 | 2 | 34 | 295.477 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.