In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 18 | Yes |
Popular Name: (2S)-2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-(hydroxym…
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) | 0.86 | 1.67 | -7.49 | 3 | 4 | 0 | 67 | 248.326 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 1.81 | -45.86 | 4 | 4 | 1 | 68 | 249.334 | 3 | ↓ |