In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 28 | No |
Popular Name: 3-nitro-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethyl]benzamide 3-nitro-N-[2-oxo-2-[4-(4-pyridyl…
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) | 0.42 | 5.33 | -17.13 | 1 | 9 | 0 | 111 | 383.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.42 | 7.63 | -62.1 | 2 | 9 | 1 | 113 | 384.416 | 6 | ↓ |