In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 20 | Yes |
Popular Name: 2-(propylamino)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone 2-(propylamino)-1-[4-(4-pyridylm…
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) | -0.02 | 4.13 | -45.97 | 2 | 5 | 1 | 53 | 277.392 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.02 | 2.77 | -10.29 | 1 | 5 | 0 | 48 | 276.384 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 6.35 | -110.23 | 3 | 5 | 2 | 54 | 278.4 | 6 | ↓ |