In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 14 | Yes |
Popular Name: (1S,2R,4R)-4-ethyl-2-pyrrolidin-1-yl-cyclohexanamine (1S,2R,4R)-4-ethyl-2-pyrrolidin-…
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) | 1.70 | 5.91 | -114.72 | 4 | 2 | 2 | 32 | 198.354 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 3.74 | -37.41 | 3 | 2 | 1 | 31 | 197.346 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 5.66 | -29.79 | 3 | 2 | 1 | 30 | 197.346 | 2 | ↓ |