In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 31 | Yes |
Popular Name: fluoro-methyl-oxo-[(3R)-3-phenylpiperazin-1-yl]BLAHcarboxylic fluoro-methyl-oxo-[(3R)-3-phenyl…
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) | 1.07 | 11.29 | -100.08 | 2 | 7 | 0 | 91 | 423.444 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 9.27 | -58.12 | 3 | 7 | 1 | 88 | 424.452 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 10.01 | -63.72 | 1 | 7 | -1 | 87 | 422.436 | 3 | ↓ |