| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…
| 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) | 0.10 | 0.96 | -58.81 | 3 | 6 | 1 | 94 | 302.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 0.57 | -15.31 | 2 | 6 | 0 | 93 | 301.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 0.56 | -14.03 | 2 | 6 | 0 | 93 | 301.412 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
