| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 16 | Yes |
Popular Name: (1S)-N-methyl-1-(4-methylsulfanylphenyl)-N-propyl-ethane-1,2-diamine (1S)-N-methyl-1-(4-methylsulfany…
| 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) | 2.04 | 6.79 | -121.02 | 4 | 2 | 2 | 32 | 240.416 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 4.53 | -47.97 | 3 | 2 | 1 | 31 | 239.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 7.08 | -31.94 | 3 | 2 | 1 | 30 | 239.408 | 6 | ↓ |
