In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 20 | Yes |
Popular Name: 1-ethylsulfonyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]piperidin-4-amine 1-ethylsulfonyl-N-[(1R)-1-(5-met…
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) | 2.35 | 5.52 | -51.43 | 2 | 4 | 1 | 54 | 317.5 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 4.33 | -9.63 | 1 | 4 | 0 | 49 | 316.492 | 5 | ↓ |