In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 17 | Yes |
Popular Name: 2-(ethylamino)-1-(4-isopentylpiperazin-1-yl)ethanone 2-(ethylamino)-1-(4-isopentylpip…
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) | 1.02 | 4.23 | -40.41 | 2 | 4 | 1 | 40 | 242.387 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 2.86 | -6.96 | 1 | 4 | 0 | 36 | 241.379 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 5.07 | -44.35 | 2 | 4 | 1 | 37 | 242.387 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 6.44 | -98.79 | 3 | 4 | 2 | 41 | 243.395 | 6 | ↓ |