| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2009 | 32 | No |
Popular Name: Doxycycline Doxycycline
| 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 | 2.4 | -54.97 | 6 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 4.23 | -201.63 | 3 | 10 | -3 | 187 | 441.416 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.46 | 4.76 | -155.62 | 4 | 10 | -2 | 188 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.87 | 4.17 | -178.68 | 5 | 10 | -2 | 191 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 1.65 | -62.71 | 5 | 10 | -1 | 181 | 443.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 2.54 | -70.95 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 3.04 | -95.32 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 3.91 | -48.37 | 5 | 10 | 0 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.19 | 2.03 | -57.5 | 5 | 10 | -1 | 181 | 443.432 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.46 | 3.21 | -60.26 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.