In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 19 | Yes |
Popular Name: (2S)-2-(4-chlorophenyl)-2-(3,5-dimethylphenoxy)ethanamine (2S)-2-(4-chlorophenyl)-2-(3,5-d…
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) | 3.88 | 7.84 | -48.22 | 3 | 2 | 1 | 37 | 276.787 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 7.53 | -3.33 | 2 | 2 | 0 | 35 | 275.779 | 4 | ↓ |