In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 26 | Yes |
Popular Name: (2S)-1-[4-hydroxy-4-(2-methyl-6-quinolyl)-1-piperidyl]-2-propoxy-propan-1-one (2S)-1-[4-hydroxy-4-(2-methyl-6-…
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) | 2.35 | 7.49 | -16.19 | 1 | 5 | 0 | 63 | 356.466 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 7.88 | -40.3 | 2 | 5 | 1 | 64 | 357.474 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.