In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | No |
Popular Name: 4-ethyl-5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,2,4-triazole-3-thiol 4-ethyl-5-[(2R,5R)-5-ethyl-2-met…
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) | 1.32 | 8.21 | -9.85 | 1 | 5 | 0 | 46 | 256.375 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 8.65 | -43.54 | 0 | 5 | -1 | 43 | 255.367 | 3 | ↓ |