In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 24 | Yes |
Popular Name: 2-[(2S,6S)-4-(4-ethylphenyl)sulfonyl-2,6-dimethyl-piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[(2S,6S)-4-(4-ethylphenyl)sulf…
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) | 2.75 | 6.51 | -43.54 | 1 | 5 | 1 | 45 | 354.54 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 4.06 | -7.46 | 0 | 5 | 0 | 44 | 353.532 | 6 | ↓ |