In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 22 | Yes |
Popular Name: 2-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-1,3-benzothiazole-6-sulfonamide 2-methyl-N-[(1-methyl-3,6-dihydr…
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) | 1.75 | 4.75 | -45.35 | 2 | 5 | 1 | 63 | 338.478 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.75 | 2.32 | -11.32 | 1 | 5 | 0 | 62 | 337.47 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.