In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 16 | Yes |
Popular Name: (3R)-3-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic (3R)-3-[(1-methylpyrazol-4-yl)me…
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) | -0.35 | 4.37 | -63.93 | 2 | 5 | 0 | 75 | 223.276 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.35 | 3.06 | -45.87 | 1 | 5 | -1 | 70 | 222.268 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.