| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 23 | Yes |
Popular Name: 4-[[(4-cyanophenyl)methyl-[(1S)-1-methylpropyl]amino]methyl]benzonitrile 4-[[(4-cyanophenyl)methyl-[(1S)-…
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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) | 3.86 | 12.03 | -58.1 | 1 | 3 | 1 | 52 | 304.417 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 10.02 | -10.15 | 0 | 3 | 0 | 51 | 303.409 | 6 | ↓ |
