In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 21 | Yes |
Popular Name: 2-ethyl-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide 2-ethyl-N-[5-(2-pyrrolidin-1-yle…
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) | 3.11 | 8.36 | -44.02 | 2 | 5 | 1 | 59 | 329.515 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 5.9 | -12.94 | 1 | 5 | 0 | 58 | 328.507 | 8 | ↓ |