| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 19 | Yes |
Popular Name: 2,4-dichloro-6-[[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]methyl]phenol 2,4-dichloro-6-[[[(1S)-1-(5-chlo…
| 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) | 5.15 | 6.79 | -46.52 | 3 | 2 | 1 | 37 | 337.679 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 6.29 | -35.06 | 1 | 2 | -1 | 35 | 335.663 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 5.55 | -4.87 | 2 | 2 | 0 | 32 | 336.671 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.15 | 7.55 | -31.9 | 2 | 2 | 0 | 40 | 336.671 | 4 | ↓ |
