In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 16 | Yes |
Popular Name: N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-N',N'-dimethyl-ethane-1,2-diamine N-[(1S)-1-(3,4-dichlorophenyl)et…
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) | 3.37 | 5.84 | -44.68 | 2 | 2 | 1 | 20 | 262.204 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 4.55 | -2.11 | 1 | 2 | 0 | 15 | 261.196 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 8.13 | -122.71 | 3 | 2 | 2 | 21 | 263.212 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 7.1 | -37.81 | 2 | 2 | 1 | 16 | 262.204 | 5 | ↓ |