In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2010 | 17 | Yes |
Popular Name: 3,3-dimethyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide 3,3-dimethyl-N-(5-propylsulfanyl…
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) | 3.41 | 6.52 | -12.6 | 1 | 4 | 0 | 55 | 273.427 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.59 | 6.4 | -42.94 | 0 | 4 | -1 | 61 | 272.419 | 6 | ↓ |