In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 20 | No |
Popular Name: 4-ethyl-1-(3-nitro-4-pyridyl)piperidine-4-carboxylic 4-ethyl-1-(3-nitro-4-pyridyl)pip…
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) | 1.45 | 8.09 | -45.72 | 0 | 7 | -1 | 102 | 278.288 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.45 | 6.23 | -8.79 | 1 | 7 | 0 | 99 | 279.296 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.