In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 17 | Yes |
Popular Name: 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-propyl-piperidin-4-amine 1-[[(1S)-cyclohex-3-en-1-yl]meth…
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) | 3.20 | 7.13 | -36.13 | 2 | 2 | 1 | 20 | 237.411 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 7.97 | -35.11 | 2 | 2 | 1 | 16 | 237.411 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.20 | 9.16 | -105.92 | 3 | 2 | 2 | 21 | 238.419 | 5 | ↓ |