In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 16 | Yes |
Popular Name: 3-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic 3-[[5-(propanoylamino)-1,3,4-thi…
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) | 0.95 | 3.62 | -61.99 | 1 | 6 | -1 | 95 | 260.32 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 2.56 | -97.36 | 0 | 6 | -2 | 101 | 259.312 | 6 | ↓ |