In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 24 | Yes |
Popular Name: 1-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-N,N-dimethyl-piperidine-4-carboxamide 1-[(2S)-3-(2,4-dichlorophenoxy)-…
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 | 6.69 | -54.31 | 2 | 5 | 1 | 54 | 376.304 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 4.47 | -14.36 | 1 | 5 | 0 | 53 | 375.296 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.