| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(3,4-dimethylphenyl)-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1S)-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) | 4.34 | 8.61 | -35.08 | 2 | 2 | 1 | 20 | 303.392 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 7.61 | -3.35 | 1 | 2 | 0 | 15 | 302.384 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 9.24 | -39.91 | 2 | 2 | 1 | 16 | 303.392 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | 10.27 | -120.66 | 3 | 2 | 2 | 21 | 304.4 | 8 | ↓ |
