In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 20 | Yes |
Popular Name: (2R,4S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethyl-cyclohexanone (2R,4S)-2-(3,4-dihydro-1H-isoqui…
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) | 3.38 | 11.15 | -40.18 | 1 | 2 | 1 | 22 | 272.412 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 9.12 | -5.11 | 0 | 2 | 0 | 20 | 271.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.