In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 19 | Yes |
Popular Name: 2-[4-[[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]methyl]-1-piperidyl]ethanol 2-[4-[[methyl-[[(2R)-tetrahydrop…
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) | 1.39 | 5.92 | -89.41 | 3 | 4 | 2 | 38 | 272.433 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 3.76 | -31.99 | 2 | 4 | 1 | 37 | 271.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.