| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 19 | No |
Popular Name: {1-methyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}methanol {1-methyl-2-[(4-nitrobenzyl)sulf…
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CAS Number: 478031-87-7
| 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) | 2.04 | 5.91 | -12.62 | 1 | 6 | 0 | 84 | 279.321 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 6.4 | -39.17 | 2 | 6 | 1 | 85 | 280.329 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 164 - 166 | KeyOrganics |
