| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 20 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-(7H-purin-6-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-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) | 0.27 | 4.75 | -64.29 | 4 | 8 | 1 | 115 | 274.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 4.2 | -80.3 | 3 | 8 | 0 | 113 | 273.3 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 4.78 | -60.5 | 4 | 8 | 1 | 115 | 274.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 4.78 | -60.46 | 4 | 8 | 1 | 115 | 274.308 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.27 | 4.2 | -80.35 | 3 | 8 | 0 | 113 | 273.3 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
