In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2004 | 14 | Yes |
Popular Name: [2-keto-2-[4-[(1R)-1-methylpropyl]piperazin-4-ium-1-yl]ethyl]ammonium [2-keto-2-[4-[(1R)-1-methylpropy…
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) | -0.43 | 2.68 | -99.27 | 4 | 4 | 2 | 52 | 201.314 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.43 | 2.28 | -40.85 | 3 | 4 | 1 | 51 | 200.306 | 3 | ↓ |