In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 28 | Yes |
Popular Name: N-(1,3-benzothiazol-2-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(1,3-benzothiazol-2-yl)-2-[[4-…
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) | 3.44 | 10.27 | -18.76 | 1 | 7 | 0 | 86 | 410.528 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.63 | 8.85 | -52.17 | 0 | 7 | -1 | 92 | 409.52 | 7 | ↓ |