In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R)-N'-[(1S)-2-methoxy-1-methyl-ethyl]-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine (1R)-N'-[(1S)-2-methoxy-1-methyl…
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) | 3.33 | 9.2 | -112.14 | 3 | 3 | 2 | 30 | 280.456 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 7.27 | -32.84 | 2 | 3 | 1 | 29 | 279.448 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 5.57 | -2.69 | 1 | 3 | 0 | 24 | 278.44 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 8.13 | -30.31 | 2 | 3 | 1 | 26 | 279.448 | 9 | ↓ |