| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 18 | Yes |
Popular Name: (2R,4S)-2-ethyl-N2,4-dimethyl-N2-(3-thienylmethyl)hexane-1,2-diamine (2R,4S)-2-ethyl-N2,4-dimethyl-N2…
| 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) | 2.97 | 7.85 | -45.41 | 3 | 2 | 1 | 31 | 269.478 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 7.7 | -118.75 | 4 | 2 | 2 | 32 | 270.486 | 8 | ↓ |
