In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 20 | Yes |
Popular Name: N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide N-[5-(2-pyrrolidin-1-ylethylsulf…
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) | 2.03 | 7.64 | -45.02 | 2 | 5 | 1 | 59 | 313.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 5.17 | -13.9 | 1 | 5 | 0 | 58 | 312.464 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 6.19 | -61.17 | 1 | 5 | 0 | 66 | 312.464 | 6 | ↓ |