In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 19 | Yes |
Popular Name: (1R)-1-(3,4-dimethylphenyl)-N-methyl-N-[(1S)-1,2,2-trimethylpropyl]ethane-1,2-diamine (1R)-1-(3,4-dimethylphenyl)-N-me…
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) | 3.59 | 8.21 | -121.82 | 4 | 2 | 2 | 32 | 264.457 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.59 | 6.78 | -45.69 | 3 | 2 | 1 | 31 | 263.449 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.59 | 7.99 | -28.56 | 3 | 2 | 1 | 30 | 263.449 | 5 | ↓ |