In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 16 | Yes |
Popular Name: N-[(1R)-1-(2,5-dichlorophenyl)ethyl]-N',N'-dimethyl-ethane-1,2-diamine N-[(1R)-1-(2,5-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 | 7.12 | -35.13 | 2 | 2 | 1 | 16 | 262.204 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 5.85 | -39.52 | 2 | 2 | 1 | 20 | 262.204 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 4.71 | -2.11 | 1 | 2 | 0 | 15 | 261.196 | 5 | ↓ |