In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 17 | Yes |
Popular Name: N-[[(2R)-1-(3,3-dimethylbutyl)-2-piperidyl]methyl]propan-1-amine N-[[(2R)-1-(3,3-dimethylbutyl)-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) | 3.52 | 9.48 | -113.97 | 3 | 2 | 2 | 21 | 242.451 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 7.66 | -35.46 | 2 | 2 | 1 | 20 | 241.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 8.22 | -28.31 | 2 | 2 | 1 | 16 | 241.443 | 7 | ↓ |