In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 30 | Yes |
Popular Name: N-(1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-(4-pyridylmethyl)butanamide N-(1,3-benzothiazol-2-yl)-4-(p-t…
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) | 4.41 | 14.47 | -18.95 | 0 | 4 | 0 | 46 | 433.602 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 14.93 | -53.33 | 1 | 4 | 1 | 47 | 434.61 | 8 | ↓ |