| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 28 | Yes |
Popular Name: 3,5-dichloro-4-[(1R,2S)-2-(2,6-dichloro-4-hydroxy-phenyl)-1,2-bis(propylamino)ethyl]phenol 3,5-dichloro-4-[(1R,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) | 6.27 | 6.52 | -26.92 | 5 | 4 | 1 | 69 | 467.244 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.27 | 7.61 | -66.76 | 5 | 4 | 1 | 76 | 467.244 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.27 | 8.19 | -53.93 | 3 | 4 | -1 | 75 | 465.228 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.27 | 7.78 | -51.16 | 3 | 4 | -1 | 75 | 465.228 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.27 | 7.41 | -37.13 | 4 | 4 | 0 | 72 | 466.236 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.27 | 7.27 | -83.85 | 6 | 4 | 2 | 74 | 468.252 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.27 | 7 | -38.85 | 4 | 4 | 0 | 72 | 466.236 | 9 | ↓ |
