In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-[(1…
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) | 3.78 | 8.05 | -34.34 | 2 | 2 | 1 | 16 | 293.397 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 6.6 | -40.57 | 2 | 2 | 1 | 20 | 293.397 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 8.91 | -107.11 | 3 | 2 | 2 | 21 | 294.405 | 3 | ↓ |