| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 18 | Yes |
Popular Name: (1S)-N',N'-dimethyl-N-[(2S)-2-methylpentyl]-1-phenyl-ethane-1,2-diamine (1S)-N',N'-dimethyl-N-[(2S)-2-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) | 3.89 | 10.21 | -114.25 | 3 | 2 | 2 | 21 | 250.43 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 9.02 | -31.64 | 2 | 2 | 1 | 16 | 249.422 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 7.82 | -39.95 | 2 | 2 | 1 | 20 | 249.422 | 8 | ↓ |
