| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 26 | Yes |
Popular Name: 3,5-dichloro-4-[(1S,2S)-2-(2,6-dichloro-4-hydroxy-phenyl)-1,2-bis(ethylamino)ethyl]phenol 3,5-dichloro-4-[(1S,2S)-2-(2,6-d…
| 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) | 5.26 | 4.71 | -33.51 | 5 | 4 | 1 | 69 | 439.19 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.26 | 5.49 | -41.81 | 4 | 4 | 0 | 72 | 438.182 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.26 | 6.26 | -79.91 | 3 | 4 | -1 | 75 | 437.174 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.26 | 5.85 | -43.07 | 4 | 4 | 0 | 72 | 438.182 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.26 | 5.82 | -95.24 | 6 | 4 | 2 | 74 | 440.198 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.26 | 6.6 | -88.39 | 5 | 4 | 1 | 76 | 439.19 | 7 | ↓ |
