In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2005 | 33 | Yes |
Popular Name: CN(CCCCc1c[nH]c2c1cc(cc2)C#N)CC(=O)Nc3ccc4c(c3)cc(o4)C(=O)N CN(CCCCc1c[nH]c2c1cc(cc2)C#N)CC(…
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) | 3.35 | -0.89 | -56.55 | 5 | 8 | 1 | 129 | 444.515 | 9 | ↓ |