In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 20 | No |
Popular Name: 3-[(1S,5S)-1,5-dinitro-3-azabicyclo[3.3.1]non-7-en-3-yl]propanoic 3-[(1S,5S)-1,5-dinitro-3-azabicy…
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) | 0.33 | 6.13 | -42.15 | 0 | 9 | -1 | 135 | 284.248 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.33 | 7.78 | -50.01 | 1 | 9 | 0 | 136 | 285.256 | 5 | ↓ |