In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 21 | Yes |
Popular Name: (2S)-3-[4-[(5-fluoro-3-pyridyl)sulfonyl]piperazin-1-yl]-2-methyl-propan-1-amine (2S)-3-[4-[(5-fluoro-3-pyridyl)s…
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) | -0.07 | 0.15 | -50.56 | 3 | 6 | 1 | 81 | 317.41 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.07 | 2.07 | -118.95 | 4 | 6 | 2 | 82 | 318.418 | 5 | ↓ |