In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 19 | Yes |
Popular Name: 7-(3-hydroxypropyl)-1-methyl-3-propyl-purine-2,6-dione 7-(3-hydroxypropyl)-1-methyl-3-p…
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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) | 0.58 | 4.93 | -13.87 | 1 | 7 | 0 | 82 | 266.301 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.58 | 5.42 | -50.88 | 2 | 7 | 1 | 83 | 267.309 | 5 | ↓ |