In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 18 | Yes |
Popular Name: (2S,4S)-4-ethyl-2-[[methyl(2-thienylmethyl)amino]methyl]cyclohexanone (2S,4S)-4-ethyl-2-[[methyl(2-thi…
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) | 3.29 | 9.69 | -41.7 | 1 | 2 | 1 | 22 | 266.43 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 7.5 | -7.33 | 0 | 2 | 0 | 20 | 265.422 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.