| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2008 | 22 | No |
Popular Name: 3-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]methyl]benzonitrile 3-[[methyl-[(1R)-1-(3-nitropheny…
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| 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) | 3.37 | 9.71 | -10.63 | 0 | 5 | 0 | 73 | 295.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 11.73 | -59.5 | 1 | 5 | 1 | 74 | 296.35 | 5 | ↓ |
