In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2011 | 21 | Yes |
Popular Name: (1R,3R)-3-ethyl-N-[(5-phenyl-2-thienyl)methyl]cyclohexanamine (1R,3R)-3-ethyl-N-[(5-phenyl-2-t…
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) | 5.91 | 11.96 | -39.66 | 2 | 1 | 1 | 17 | 300.491 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.91 | 10.91 | -2.92 | 1 | 1 | 0 | 12 | 299.483 | 5 | ↓ |