| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 20 | Yes |
Popular Name: (2S)-2-(4-isopropylphenyl)-2-(4-pyridylmethylamino)acetonitrile (2S)-2-(4-isopropylphenyl)-2-(4-…
| 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) | 3.09 | 7.57 | -8.11 | 1 | 3 | 0 | 49 | 265.36 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 8.01 | -39.45 | 2 | 3 | 1 | 50 | 266.368 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 8.86 | -56.43 | 2 | 3 | 1 | 53 | 266.368 | 5 | ↓ |
