| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2010 | 32 | No |
Popular Name: Doxycycline HCl Doxycycline HCl
Find On: PubMed — Wikipedia — Google
CAS Number: 10592-13-9
| 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) | -1.46 | 0.62 | -58.87 | 5 | 10 | -1 | 181 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -0.24 | -87.86 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 0.39 | -128.88 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 2.83 | -134.43 | 4 | 10 | -2 | 188 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 2.06 | -205.48 | 3 | 10 | -3 | 187 | 441.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 0.92 | -55.46 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | -0.45 | -52.49 | 6 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 0.4 | -70.49 | 5 | 10 | -1 | 181 | 443.432 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -2.19 | -1.13 | -41.97 | 7 | 10 | 1 | 180 | 445.448 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.