| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 27 | No |
Popular Name: (2S)-N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-[(3-nitrophenyl)methyl]propanediamide (2S)-N-(cyanomethyl)-2-(cyclohex…
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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) | 2.75 | 8.04 | -18.17 | 2 | 8 | 0 | 128 | 372.425 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 5.65 | -43.65 | 1 | 8 | -1 | 134 | 371.417 | 8 | ↓ |
