In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 28 | Yes |
Popular Name: CN1CC[C@@H]([C@@H](C1)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O)O CN1CC[C@@H]([C@@H](C1)c2c(cc(c3c…
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) | 3.09 | -2.3 | -56.51 | 4 | 6 | 1 | 95 | 402.854 | 2 | ↓ |