In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (2R)-2-(4-fluorophenyl)-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]ethanamine (2R)-2-(4-fluorophenyl)-2-[(2S)-…
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) | 1.64 | 7.8 | -129.34 | 4 | 3 | 2 | 45 | 287.382 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 7.75 | -36.45 | 3 | 3 | 1 | 43 | 286.374 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 6.05 | -48.24 | 3 | 3 | 1 | 44 | 286.374 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 6.51 | -110.19 | 4 | 3 | 2 | 45 | 287.382 | 4 | ↓ |