In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 19 | Yes |
Popular Name: 1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one 1-[4-[(5-chloro-2-thienyl)methyl…
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) | 3.36 | 6.14 | -8.67 | 0 | 3 | 0 | 24 | 300.855 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.36 | 8.38 | -50.15 | 1 | 3 | 1 | 25 | 301.863 | 3 | ↓ |