In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 15 | Yes |
Popular Name: 5-[2-(1-piperidyl)ethylsulfanyl]-4H-1,2,4-triazol-3-amine 5-[2-(1-piperidyl)ethylsulfanyl]…
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) | 1.05 | 6.41 | -41.57 | 4 | 5 | 1 | 72 | 228.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.05 | 4.11 | -11.64 | 3 | 5 | 0 | 71 | 227.337 | 4 | ↓ |