In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 20 | Yes |
Popular Name: N-[5-[2-(1-piperidyl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide N-[5-[2-(1-piperidyl)ethylsulfan…
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) | 2.36 | 7.82 | -45.42 | 2 | 5 | 1 | 59 | 313.472 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 5.59 | -13.62 | 1 | 5 | 0 | 58 | 312.464 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 6.15 | -61.59 | 1 | 5 | 0 | 66 | 312.464 | 6 | ↓ |