In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2007 | 28 | Yes |
Popular Name: 1-(1-adamantyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one 1-(1-adamantyl)-2-[(4-ethyl-5-ph…
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) | 5.34 | 1.77 | -9.81 | 0 | 4 | 0 | 47 | 395.572 | 6 | ↓ |