In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2006 | 25 | No |
Popular Name: 5-(4-ethylphenyl)-3-(4-methoxyphenyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-1,3,7-triene 5-(4-ethylphenyl)-3-(4-methoxyph…
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) | 3.93 | 10.99 | -7.38 | 1 | 6 | 0 | 68 | 333.395 | 4 | ↓ |
Ref Reference (pH 7) | 3.93 | 10.22 | -15.27 | 0 | 6 | 0 | 65 | 333.395 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 11.2 | -30.79 | 2 | 6 | 1 | 70 | 334.403 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 10.54 | -39.48 | 1 | 6 | 1 | 67 | 334.403 | 4 | ↓ |