| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2009 | 32 | No |
Popular Name: LS-187188 LS-187188
64-73-3; CPD001496930; Demeclocycline; SAM002589921
| 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) | -0.64 | -0.49 | -52.28 | 7 | 10 | 0 | 186 | 464.858 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | -0.91 | -104.95 | 5 | 10 | -2 | 187 | 462.842 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 1.26 | -198.85 | 5 | 10 | -2 | 191 | 462.842 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | -1.88 | -55.96 | 6 | 10 | -1 | 184 | 463.85 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 0.77 | -90.19 | 6 | 10 | -1 | 188 | 463.85 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 1.4 | -67.58 | 6 | 10 | 0 | 182 | 464.858 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 2.4 | -112.95 | 5 | 10 | -1 | 185 | 463.85 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-8904; NCC_SUPPLIER_SAMPLE_COMMENTS : LIGHT-YELLOW POWDER | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-8904; SUPPLIER_COMMENTS: LIGHT-YELLOW POWDER | NIH Clinical Collection via PubChem |
