| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 21 | No |
Popular Name: 3-[[methyl-[(3-nitrophenyl)methyl]amino]methyl]benzonitrile 3-[[methyl-[(3-nitrophenyl)methy…
| 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) | 2.81 | 11.16 | -63.34 | 1 | 5 | 1 | 74 | 282.323 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 8.76 | -13.1 | 0 | 5 | 0 | 73 | 281.315 | 5 | ↓ |
