In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 26 | Yes |
Popular Name: 2-[[4-allyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone 2-[[4-allyl-5-(morpholinomethyl)…
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) | 2.60 | 8.6 | -11.11 | 0 | 6 | 0 | 60 | 392.912 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 10.87 | -47.18 | 1 | 6 | 1 | 61 | 393.92 | 8 | ↓ |