In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (2R)-N2,N2,3-trimethyl-N1-[1-(2-pyridyl)-4-piperidyl]butane-1,2-diamine (2R)-N2,N2,3-trimethyl-N1-[1-(2-…
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) | 2.46 | 7.37 | -85.87 | 3 | 4 | 2 | 37 | 292.471 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 9.85 | -180.75 | 4 | 4 | 3 | 38 | 293.479 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 7.58 | -41.45 | 2 | 4 | 1 | 36 | 291.463 | 6 | ↓ |