In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(2,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-methylbutyl]ethane-1,2-diamine (1R)-1-(2,4-dimethoxyphenyl)-N-m…
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) | 2.54 | 5.47 | -120.02 | 4 | 4 | 2 | 51 | 282.428 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 5.27 | -32.13 | 3 | 4 | 1 | 49 | 281.42 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 3.93 | -43.24 | 3 | 4 | 1 | 49 | 281.42 | 8 | ↓ |