In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 30 | Yes |
Popular Name: N,N'-bis(5-butyl-1,3,4-thiadiazol-2-yl)terephthalamide N,N'-bis(5-butyl-1,3,4-thiadiazo…
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) | 3.85 | 9.91 | -33.99 | 2 | 8 | 0 | 110 | 444.586 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.99 | 8.12 | -97.26 | 0 | 8 | -2 | 122 | 442.57 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.92 | 9.01 | -55.2 | 1 | 8 | -1 | 116 | 443.578 | 10 | ↓ |