In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 15 | Yes |
Popular Name: (3S)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-ethyl-pyrrolidin-3-amine (3S)-1-[[(1R)-cyclohex-3-en-1-yl…
None
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) | 2.42 | 6.57 | -34.11 | 2 | 2 | 1 | 16 | 209.357 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 4.32 | -0.81 | 1 | 2 | 0 | 15 | 208.349 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 5.51 | -36.03 | 2 | 2 | 1 | 20 | 209.357 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 7.76 | -110.68 | 3 | 2 | 2 | 21 | 210.365 | 4 | ↓ |