In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2S,4R)-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-4-propyl-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) | 4.65 | 11.29 | -42.96 | 1 | 2 | 1 | 22 | 314.902 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 9.16 | -4.34 | 0 | 2 | 0 | 20 | 313.894 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.