In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 19 | Yes |
Popular Name: (2S,4R)-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-4-ethyl-cyclohexanone (2S,4R)-2-[[(5-chloro-2-thienyl)…
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) | 4.09 | 10.73 | -39.66 | 1 | 2 | 1 | 22 | 300.875 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 8.86 | -6.04 | 0 | 2 | 0 | 20 | 299.867 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.