In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 14 | Yes |
Popular Name: 3,3-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine 3,3-dimethyl-1-[[(2S)-tetrahydro…
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) | 1.17 | 2.52 | -34 | 2 | 3 | 1 | 29 | 199.318 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.17 | 1.32 | -2.84 | 1 | 3 | 0 | 24 | 198.31 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 4.52 | -104.13 | 3 | 3 | 2 | 30 | 200.326 | 2 | ↓ |