In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | Yes |
Popular Name: (1R,2R,4R)-4-phenyl-2-pyrrolidin-1-yl-cyclohexanamine (1R,2R,4R)-4-phenyl-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) | 2.34 | 7.63 | -124.67 | 4 | 2 | 2 | 32 | 246.398 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 7.96 | -30.76 | 3 | 2 | 1 | 30 | 245.39 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 5.54 | -41.92 | 3 | 2 | 1 | 31 | 245.39 | 2 | ↓ |