| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 21 | Yes |
Popular Name: (1S)-1-(4-isopropylphenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (1S)-1-(4-isopropylphenyl)-N-[(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) | 5.40 | 11.85 | -43.01 | 2 | 1 | 1 | 17 | 300.491 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.40 | 10.71 | -3.15 | 1 | 1 | 0 | 12 | 299.483 | 6 | ↓ |
