In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 20 | Yes |
Popular Name: [(2R,3S,4S)-4-hydroxy-2-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl] [(2R,3S,4S)-4-hydroxy-2-[(1S)-1-…
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) | 2.02 | 3.42 | -56.15 | 3 | 5 | 1 | 72 | 280.344 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 2.1 | -13.04 | 2 | 5 | 0 | 68 | 279.336 | 5 | ↓ |