| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: 2,4-dichloro-6-[[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]methyl]phenol 2,4-dichloro-6-[[[(1S)-1-(4-meth…
| 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) | 4.88 | 8.17 | -47.02 | 3 | 2 | 1 | 37 | 343.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 7.78 | -36.96 | 1 | 2 | -1 | 35 | 341.283 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.88 | 7.03 | -5.35 | 2 | 2 | 0 | 32 | 342.291 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.88 | 8.92 | -31.66 | 2 | 2 | 0 | 40 | 342.291 | 5 | ↓ |
