In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 20 | Yes |
Popular Name: 3-(4-methyl-1-piperidyl)-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine 3-(4-methyl-1-piperidyl)-N-[(4-m…
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) | 3.38 | 9.48 | -35.73 | 2 | 2 | 1 | 16 | 293.5 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.38 | 8.61 | -45.3 | 2 | 2 | 1 | 20 | 293.5 | 7 | ↓ |