In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 28 | Yes |
Popular Name: 4-tert-butyl-N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide 4-tert-butyl-N-[5-[(3,4-dichloro…
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) | 6.85 | 12.47 | -14.16 | 1 | 4 | 0 | 55 | 452.432 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.92 | 10.8 | -47.32 | 0 | 4 | -1 | 61 | 451.424 | 6 | ↓ |