| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 22 | Yes |
Popular Name: 2-[2-hydroxyethyl(propyl)amino]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone 2-[2-hydroxyethyl(propyl)amino]-…
| 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) | 1.13 | 4.37 | -40.03 | 2 | 5 | 1 | 48 | 326.486 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.13 | 2.34 | -12.26 | 1 | 5 | 0 | 47 | 325.478 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.13 | 6.58 | -99.97 | 3 | 5 | 2 | 49 | 327.494 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
