In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 15 | Yes |
Popular Name: 1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-amine 1-[[(1R,2R)-2-methylcyclohexyl]m…
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) | 2.14 | 4.55 | -41.03 | 3 | 2 | 1 | 31 | 211.373 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 6.07 | -33.64 | 3 | 2 | 1 | 30 | 211.373 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.14 | 6.39 | -106.99 | 4 | 2 | 2 | 32 | 212.381 | 2 | ↓ |