| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(1S)-1-cyclopropylethyl]-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) | 1.78 | 5.01 | -47.61 | 3 | 4 | 1 | 60 | 252.382 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.62 | -6.3 | 2 | 4 | 0 | 59 | 251.374 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.65 | -7.57 | 2 | 4 | 0 | 59 | 251.374 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
