| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | No |
Popular Name: (1R)-1-[4-(aminomethyl)phenyl]-2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]ethanol (1R)-1-[4-(aminomethyl)phenyl]-2…
| 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) | -0.14 | 1.02 | -109.55 | 5 | 5 | 2 | 86 | 300.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | -1.83 | -56.55 | 4 | 5 | 1 | 85 | 299.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
