| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 17 | Yes |
Popular Name: 4-[[[(1S)-1-(hydroxymethyl)-3-methyl-butyl]amino]methyl]benzonitrile 4-[[[(1S)-1-(hydroxymethyl)-3-me…
| 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) | 2.26 | 5.08 | -47.79 | 3 | 3 | 1 | 61 | 233.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 4.08 | -5.98 | 2 | 3 | 0 | 56 | 232.327 | 6 | ↓ |
