| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 32 | No |
Popular Name: Doxycycline SSa Doxycycline SSa
Find On: PubMed — Wikipedia — Google
CAS Number: no cas
| 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) | -1.61 | 0.6 | -69.53 | 7 | 10 | 0 | 186 | 444.44 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | -1.07 | -128.03 | 4 | 10 | -2 | 184 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | -1.77 | -60.67 | 5 | 10 | -1 | 181 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 0.71 | -123.33 | 5 | 10 | -1 | 185 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | 1.2 | -156.16 | 6 | 10 | -1 | 188 | 443.432 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | -0.39 | -67.71 | 6 | 10 | -1 | 184 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 1.74 | -125.38 | 5 | 10 | -1 | 185 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 1.14 | -58.43 | 6 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.01 | -98.17 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | -0.86 | -50.57 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.19 | 0.57 | -57.27 | 7 | 10 | 1 | 180 | 445.448 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.