In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 29 | Yes |
Popular Name: (2-chloro-3-pyridyl)-[4-[(R)-(4-fluorophenyl)-phenyl-methyl]piperazin-1-yl]methanone (2-chloro-3-pyridyl)-[4-[(R)-(4-…
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) | 3.87 | 10.68 | -13.34 | 0 | 4 | 0 | 36 | 409.892 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 12.26 | -54.22 | 1 | 4 | 1 | 38 | 410.9 | 4 | ↓ |