In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 19 | Yes |
Popular Name: (1S,2S)-2-methyl-1-[4-methyl-5-(p-tolyl)-1H-imidazol-2-yl]butan-1-amine (1S,2S)-2-methyl-1-[4-methyl-5-(…
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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) | 1.49 | 7.19 | -49.9 | 4 | 3 | 1 | 56 | 258.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 6.69 | -27.3 | 4 | 3 | 1 | 56 | 258.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 6.87 | -6.65 | 3 | 3 | 0 | 55 | 257.381 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 6.94 | -114.62 | 5 | 3 | 2 | 58 | 259.397 | 4 | ↓ |