In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2009 | 34 | Yes |
Popular Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[4-(propanoylamino)phenyl]quinoline-4-carboxamide N-[2-(4-ethylpiperazin-1-yl)ethy…
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) | 3.61 | 8.8 | -58.91 | 3 | 7 | 1 | 79 | 460.602 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 6.48 | -23.65 | 2 | 7 | 0 | 78 | 459.594 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 8.81 | -66.58 | 3 | 7 | 1 | 79 | 460.602 | 8 | ↓ |