In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2011 | 26 | Yes |
Popular Name: 1-[(2-methoxyphenyl)methyl]-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane 1-[(2-methoxyphenyl)methyl]-4,8,…
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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) | 2.24 | 5.01 | -89.59 | 2 | 5 | 2 | 25 | 364.578 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 1.73 | -34.91 | 1 | 5 | 1 | 23 | 363.57 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 6.19 | -90.37 | 2 | 5 | 2 | 25 | 364.578 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 9.2 | -197.65 | 3 | 5 | 3 | 26 | 365.586 | 3 | ↓ |