| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (2S)-N2-isobutyl-N2,2-dimethyl-4-phenyl-butane-1,2-diamine (2S)-N2-isobutyl-N2,2-dimethyl-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) | 3.03 | 6.65 | -44.58 | 3 | 2 | 1 | 31 | 249.422 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.9 | -31.32 | 3 | 2 | 1 | 30 | 249.422 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 8.22 | -122.99 | 4 | 2 | 2 | 32 | 250.43 | 7 | ↓ |
