| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | Yes |
Popular Name: N'-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-N,N-dimethyl-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) | 1.10 | 4.36 | -90.57 | 3 | 4 | 2 | 28 | 270.465 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 2.99 | -31.8 | 2 | 4 | 1 | 23 | 269.457 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 3.26 | -33.24 | 2 | 4 | 1 | 23 | 269.457 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 5.47 | -75.84 | 3 | 4 | 2 | 24 | 270.465 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 6.83 | -175.26 | 4 | 4 | 3 | 29 | 271.473 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
