| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 27 | Yes |
Popular Name: 1-(4-benzylpiperazin-1-yl)-2-[[(4R)-2-chloro-4H-purin-6-yl]amino]ethanone 1-(4-benzylpiperazin-1-yl)-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) | 0.66 | 2.08 | -36.62 | 0 | 8 | -1 | 87 | 384.851 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 4.28 | -57.18 | 1 | 8 | 0 | 88 | 385.859 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | 4.79 | -58.75 | 2 | 8 | 1 | 86 | 386.867 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
