In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: [4-(3-aminopropyl)piperazin-1-yl]-(2-pyridyl)methanone [4-(3-aminopropyl)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) | -0.83 | 1.88 | -51.35 | 3 | 5 | 1 | 64 | 249.338 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.83 | 4.14 | -113.04 | 4 | 5 | 2 | 65 | 250.346 | 4 | ↓ |