In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2011 | 21 | Yes |
Popular Name: (2R)-N-tert-butyl-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]-3-methyl-butan-1-amine (2R)-N-tert-butyl-2-[4-(2-dimeth…
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) | 2.34 | 5.62 | -77.44 | 3 | 4 | 2 | 28 | 300.535 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 3.13 | -32.71 | 2 | 4 | 1 | 26 | 299.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 7.9 | -175.61 | 4 | 4 | 3 | 29 | 301.543 | 8 | ↓ |