In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2010 | 18 | Yes |
Popular Name: (2S)-3-(4-hydroxy-1-piperidyl)-2-methyl-1-phenyl-propan-1-one (2S)-3-(4-hydroxy-1-piperidyl)-2…
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) | 1.26 | 6.15 | -41.14 | 2 | 3 | 1 | 42 | 248.346 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.26 | 4.22 | -7.26 | 1 | 3 | 0 | 41 | 247.338 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.