In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 17 | Yes |
Popular Name: (3R)-N-ethyl-1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-amine (3R)-N-ethyl-1-[(4-ethylcyclohex…
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) | 3.37 | 7.93 | -33.06 | 2 | 2 | 1 | 16 | 239.427 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 5.8 | -0.32 | 1 | 2 | 0 | 15 | 238.419 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 6.98 | -35.39 | 2 | 2 | 1 | 20 | 239.427 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.37 | 9.1 | -109.16 | 3 | 2 | 2 | 21 | 240.435 | 5 | ↓ |