| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 16 | Yes |
Popular Name: (1S)-N-isopropyl-N-methyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine (1S)-N-isopropyl-N-methyl-1-(4-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) | 1.84 | 6.13 | -124.32 | 4 | 2 | 2 | 32 | 240.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 4.3 | -45.27 | 3 | 2 | 1 | 31 | 239.408 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.76 | -31.66 | 3 | 2 | 1 | 30 | 239.408 | 5 | ↓ |
