| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 20 | Yes |
Popular Name: 2-chloro-4-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]phenol 2-chloro-4-[[[(1R)-1-(3,4-dichlo…
| 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) | 5.13 | 7.54 | -54.75 | 3 | 2 | 1 | 37 | 331.65 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.13 | 6.43 | -6.54 | 2 | 2 | 0 | 32 | 330.642 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.13 | 8.31 | -65.71 | 2 | 2 | 0 | 40 | 330.642 | 4 | ↓ |
