In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2010 | 21 | No |
Popular Name: 1-[4-[2-[(3-nitro-2-pyridyl)amino]ethyl]piperazin-1-yl]ethanone 1-[4-[2-[(3-nitro-2-pyridyl)amin…
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) | 0.09 | 4.23 | -14.44 | 1 | 8 | 0 | 94 | 293.327 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.09 | 6.42 | -53.42 | 2 | 8 | 1 | 95 | 294.335 | 5 | ↓ |