In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2008 | 17 | Yes |
Popular Name: N',N'-dimethyl-N-[(1S)-1-(4-propylphenyl)ethyl]ethane-1,2-diamine N',N'-dimethyl-N-[(1S)-1-(4-prop…
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) | 3.39 | 7.06 | -38.67 | 2 | 2 | 1 | 20 | 235.395 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 5.81 | -1.43 | 1 | 2 | 0 | 15 | 234.387 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 8.32 | -34.21 | 2 | 2 | 1 | 16 | 235.395 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 9.38 | -112.35 | 3 | 2 | 2 | 21 | 236.403 | 7 | ↓ |