| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 18 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(4-methylsulfanylphenyl)methyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(4-methyl…
| 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) | 3.04 | 8.04 | -37.42 | 2 | 2 | 1 | 20 | 267.462 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 8.53 | -35.03 | 2 | 2 | 1 | 16 | 267.462 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 9.71 | -116.86 | 3 | 2 | 2 | 21 | 268.47 | 8 | ↓ |
