In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 21 | Yes |
Popular Name: (1S,4R,5S,6S)-6-(4-propylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(4-propylpiperaz…
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) | 1.67 | 6.62 | -49.06 | 0 | 5 | -1 | 64 | 291.371 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 8.85 | -65.49 | 1 | 5 | 0 | 65 | 292.379 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 6.64 | -43.13 | 2 | 5 | 1 | 62 | 293.387 | 4 | ↓ |