In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | Yes |
Popular Name: (2R,4R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methyl-piperidin-4-amine (2R,4R)-1-[[(1R)-cyclohex-3-en-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) | 1.74 | 4.03 | -41.79 | 3 | 2 | 1 | 31 | 209.357 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 6.01 | -32.88 | 3 | 2 | 1 | 30 | 209.357 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 6.33 | -107.16 | 4 | 2 | 2 | 32 | 210.365 | 2 | ↓ |