In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2011 | 19 | Yes |
Popular Name: 2,4-dichloro-6-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2,4-dichloro-6-[[[(1R)-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) | 3.33 | 3.61 | -7.46 | 2 | 3 | 0 | 45 | 317.241 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 4.35 | -39.96 | 1 | 3 | -1 | 48 | 316.233 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 4.81 | -44.2 | 3 | 3 | 1 | 50 | 318.249 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.