In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 24 | Yes |
Popular Name: 2-[(2S)-4-[(2-methylthiazol-5-yl)methyl]-1-(o-tolylmethyl)piperazin-2-yl]ethanol 2-[(2S)-4-[(2-methylthiazol-5-yl…
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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) | 1.94 | 5.68 | -36.54 | 2 | 4 | 1 | 41 | 346.52 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 5.91 | -47.71 | 2 | 4 | 1 | 41 | 346.52 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 3.52 | -8.6 | 1 | 4 | 0 | 40 | 345.512 | 6 | ↓ |