In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 21 | Yes |
Popular Name: [4-(2-aminoethyl)piperazin-1-yl]-(5-quinolyl)methanone [4-(2-aminoethyl)piperazin-1-yl]…
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) | -0.14 | 2.42 | -53.68 | 3 | 5 | 1 | 64 | 285.371 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.14 | 2.03 | -10.33 | 2 | 5 | 0 | 62 | 284.363 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.14 | 4.62 | -132.57 | 4 | 5 | 2 | 65 | 286.379 | 3 | ↓ |