| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 20 | Yes |
Popular Name: (3S)-1-[(4-methylsulfanylphenyl)methyl]-3-pyrrolidin-1-yl-piperidine (3S)-1-[(4-methylsulfanylphenyl)…
None
| 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) | 3.00 | 9.01 | -37.22 | 1 | 2 | 1 | 8 | 291.484 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 6.76 | -3.02 | 0 | 2 | 0 | 6 | 290.476 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 9.17 | -34.47 | 1 | 2 | 1 | 8 | 291.484 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 11.42 | -111.37 | 2 | 2 | 2 | 9 | 292.492 | 4 | ↓ |
