| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 32 | No |
Popular Name: demeclocycline hydrochloride demeclocycline hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 127-33-3
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) | -1.23 | -0.23 | -57.76 | 5 | 10 | -1 | 181 | 463.85 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.23 | 0.78 | -115.41 | 4 | 10 | -2 | 184 | 462.842 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.96 | -0.18 | -66.81 | 5 | 10 | -1 | 181 | 463.85 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.96 | 1.49 | -85.19 | 6 | 10 | 0 | 182 | 464.858 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.96 | 0.49 | -51.3 | 7 | 10 | 1 | 180 | 465.866 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 2.05 | -76.23 | 5 | 10 | -1 | 185 | 463.85 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 0.23 | -87.53 | 6 | 10 | -1 | 188 | 463.85 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 1.43 | -60.7 | 6 | 10 | 0 | 182 | 464.858 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.96 | -1.22 | -19.97 | 6 | 10 | 0 | 178 | 464.858 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.23 | 2.44 | -107.44 | 5 | 10 | -1 | 185 | 463.85 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.96 | -1.2 | -21.92 | 6 | 10 | 0 | 178 | 464.858 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | antibacterial | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0126145A1; EP0126145B1; EP0129284A2; EP0129285A2; EP0129285B1; EP0136438A2; EP0136438B1; EP0178624A2; EP0250038A2; EP0250038B1; EP0256989A1; EP0257063A1; EP0257063B1; EP0257086A1; EP0257086B1; EP0267277B1; EP0267617A1; EP0267617B1; EP0280703A1; EP028070 | IBM Patent Data |
| 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 |
