In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2008 | 24 | Yes |
Popular Name: 1-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-ethanone 1-[(3R,5S)-3,5-dimethyl-1-piperi…
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) | 2.01 | 5.71 | -13.38 | 1 | 7 | 0 | 84 | 347.444 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 6.49 | -41.72 | 0 | 7 | -1 | 87 | 346.436 | 4 | ↓ |