In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 30 | Yes |
Popular Name: [4-(9-benzylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] [4-(9-benzylamino-4-methyl-1,7-d…
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) | 4.97 | 1.52 | -14.51 | 1 | 5 | 0 | 55 | 397.478 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.97 | 1.7 | -31.9 | 2 | 5 | 1 | 56 | 398.486 | 7 | ↓ |