In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 25 | Yes |
Popular Name: 2-[(2S)-4-[(3,5-dimethylphenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-4-[(3,5-dimethylphenyl)m…
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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) | 2.50 | 4.89 | -33.29 | 2 | 4 | 1 | 31 | 346.539 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.50 | 5.14 | -38.99 | 2 | 4 | 1 | 31 | 346.539 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 7.31 | -100.77 | 3 | 4 | 2 | 32 | 347.547 | 5 | ↓ |