| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 21 | Yes |
Popular Name: N'-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[2-(4-cyclopentylpiperazin-1-…
| 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) | 1.85 | 8.17 | -177.32 | 4 | 4 | 3 | 29 | 299.527 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 4.61 | -31.25 | 2 | 4 | 1 | 23 | 297.511 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.04 | -91.54 | 3 | 4 | 2 | 28 | 298.519 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.84 | -74.32 | 3 | 4 | 2 | 24 | 298.519 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
