In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 22 | Yes |
Popular Name: 4-Oxo-3-[1-(4-pyridyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.0'1,5']dec-8-ene-6-carboxylic acid 4-Oxo-3-[1-(4-pyridyl)ethyl]-10-…
4-oxo-3-[1-(4-pyridinyl)ethyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
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) | 0.45 | -1.35 | -58.08 | 0 | 6 | -1 | 82 | 299.306 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | -1.23 | -59.7 | 1 | 6 | 0 | 83 | 300.314 | 3 | ↓ |