In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 18 | Yes |
Popular Name: (2R)-1-[(2R)-2-ethyl-1-piperidyl]-2-phenyl-propan-2-amine (2R)-1-[(2R)-2-ethyl-1-piperidyl…
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) | 3.56 | 7.95 | -33.01 | 3 | 2 | 1 | 30 | 247.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 5.19 | -1.67 | 2 | 2 | 0 | 29 | 246.398 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 8.17 | -119.15 | 4 | 2 | 2 | 32 | 248.414 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.