| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 17 | Yes |
Popular Name: N'-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-(4-cyclopropylpiperazin-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) | 0.06 | 3.21 | -88.25 | 3 | 4 | 2 | 28 | 242.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 2.09 | -33.63 | 2 | 4 | 1 | 23 | 241.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 4.32 | -73.7 | 3 | 4 | 2 | 24 | 242.411 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 5.68 | -172.34 | 4 | 4 | 3 | 29 | 243.419 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
