| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 21 | No |
Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-(7H-purin-6-yl)-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-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) | 0.54 | 5.53 | -61.22 | 4 | 8 | 1 | 115 | 288.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 4.98 | -79.39 | 3 | 8 | 0 | 113 | 287.327 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 5.56 | -58.4 | 4 | 8 | 1 | 115 | 288.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 5.56 | -58.33 | 4 | 8 | 1 | 115 | 288.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 4.98 | -79.42 | 3 | 8 | 0 | 113 | 287.327 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
