| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 19 | Yes |
Popular Name: (1S)-1-(4-chlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(4-chlorophenyl)-2-[(6-me…
| 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) | 1.80 | 3.85 | -7.23 | 2 | 3 | 0 | 45 | 276.767 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 5.26 | -51.6 | 3 | 3 | 1 | 50 | 277.775 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.80 | 4.29 | -32.29 | 3 | 3 | 1 | 46 | 277.775 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
