| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2009 | 32 | No |
Popular Name: DOXYCYCLINE HYDROCHLORIDE DOXYCYCLINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100929-47-3 , 24390-14-5 , 86386-73-4
| 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) | -2.19 | 1.5 | -54.51 | 6 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 0.05 | -24.73 | 5 | 10 | 0 | 181 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 3.35 | -141.04 | 4 | 10 | -2 | 188 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.19 | 2.49 | -104.86 | 5 | 10 | -1 | 185 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.19 | 0.91 | -139.47 | 4 | 10 | -2 | 184 | 442.424 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 1.66 | -202.86 | 3 | 10 | -3 | 187 | 441.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | -0.09 | -75.64 | 5 | 10 | -1 | 181 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | -0.08 | -69.02 | 5 | 10 | -1 | 181 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 2.39 | -42.32 | 5 | 10 | 0 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 1.78 | -59.62 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.19 | 0.77 | -49.92 | 7 | 10 | 1 | 180 | 445.448 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.46 | 1.64 | -48.98 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Therapy | antibacterial | SMDC Iconix |
| Purity | BP2000 | APIChem |
