In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 16 | Yes |
Popular Name: N-[(3-chlorophenyl)methyl]-N-ethyl-N',N'-dimethyl-ethane-1,2-diamine N-[(3-chlorophenyl)methyl]-N-eth…
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) | 2.80 | 6.95 | -36.96 | 1 | 2 | 1 | 8 | 241.786 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 4.95 | -2.32 | 0 | 2 | 0 | 6 | 240.778 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 7.16 | -36.98 | 1 | 2 | 1 | 8 | 241.786 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 9.5 | -112.25 | 2 | 2 | 2 | 9 | 242.794 | 6 | ↓ |