In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 22 | No |
Popular Name: 3-(5,7-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-9-ylmethylene)-2-oxo-indoline-5-carbonitrile 3-(5,7-diazabicyclo[4.3.0]nona-1…
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) | 2.11 | -0.69 | -13.38 | 2 | 5 | 0 | 85 | 286.294 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | -0.59 | -42.03 | 3 | 5 | 1 | 86 | 287.302 | 1 | ↓ |