In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | No |
Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-propyl-piperazine 1-[(2-chloro-5-nitro-phenyl)meth…
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) | 3.08 | 8.49 | -38.06 | 1 | 5 | 1 | 53 | 298.794 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 8.49 | -40.03 | 1 | 5 | 1 | 53 | 298.794 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 6.23 | -4.38 | 0 | 5 | 0 | 52 | 297.786 | 5 | ↓ |