| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-chloro-1,3-dimethyl-p…
| 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) | 1.40 | 7.69 | -45.99 | 1 | 5 | 0 | 62 | 285.775 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 5.85 | -47.02 | 0 | 5 | -1 | 61 | 284.767 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
