| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 20 | Yes |
Popular Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]propane-1,3-diamine N-[[5-(1,3-benzothiazol-2-yl)-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) | 2.31 | 4.94 | -118.73 | 5 | 4 | 2 | 70 | 289.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 3.58 | -50.82 | 4 | 4 | 1 | 66 | 288.396 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 4.56 | -48.45 | 4 | 4 | 1 | 69 | 288.396 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
