In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 22 | Yes |
Popular Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-methyl-thiadiazole-5-carboxamide N-(4,5-dihydrobenzo[e][1,3]benzo…
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) | 3.02 | 7.2 | -13.01 | 1 | 5 | 0 | 68 | 328.422 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 5.45 | -43.92 | 0 | 5 | -1 | 74 | 327.414 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.