In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(4-methoxy-3,5-dimethyl-…
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) | 2.04 | 8.27 | -43.7 | 1 | 5 | 0 | 67 | 292.379 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 6.38 | -47.25 | 0 | 5 | -1 | 65 | 291.371 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.