In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 20 | No |
Popular Name: 1-[2-(4-chloro-2-methyl-phenoxy)ethyl]piperidine-4-carbothioamide 1-[2-(4-chloro-2-methyl-phenoxy)…
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) | 2.77 | 8.21 | -50.51 | 3 | 3 | 1 | 40 | 313.874 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 5.82 | -12.87 | 2 | 3 | 0 | 38 | 312.866 | 5 | ↓ |