In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 17 | Yes |
Popular Name: (2S,4R,5R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5R)-N-[[(1R)-cyclohex-3-e…
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) | 3.12 | 7.9 | -31.82 | 2 | 2 | 1 | 16 | 237.411 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.12 | 6.54 | -38.72 | 2 | 2 | 1 | 20 | 237.411 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 8.84 | -103.62 | 3 | 2 | 2 | 21 | 238.419 | 3 | ↓ |