In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2010 | 20 | Yes |
Popular Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-propyl-piperazine 1-[3-chloro-5-(trifluoromethyl)-…
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) | 3.42 | 9.07 | -35.6 | 1 | 3 | 1 | 21 | 308.755 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 6.86 | -2.49 | 0 | 3 | 0 | 19 | 307.747 | 4 | ↓ |