| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | No |
Popular Name: (4R)-4-(2-aminoethyl)-2-[(3R)-1,1-dioxothiolan-3-yl]-5-isopropyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(3R)-1,…
| 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) | -0.48 | 0.64 | -59.9 | 3 | 6 | 1 | 94 | 288.393 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 0.25 | -15.49 | 2 | 6 | 0 | 93 | 287.385 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 0.25 | -14.39 | 2 | 6 | 0 | 93 | 287.385 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
