| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 19 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1S)-1-(4-methylsulfanylphenyl)ethyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1S)-1-(4…
| 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) | 3.60 | 8.3 | -35.11 | 2 | 2 | 1 | 20 | 281.489 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 9.29 | -36.18 | 2 | 2 | 1 | 16 | 281.489 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 10.34 | -115.1 | 3 | 2 | 2 | 21 | 282.497 | 8 | ↓ |
