| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 30 | No |
Popular Name: 1-Epidactimicin; 103531-05-1; C17980 1-Epidactimicin; 103531-05-1; C1…
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CAS Number: 103531-05-1
| 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) | -4.77 | -6.32 | -264.88 | 14 | 12 | 4 | 209 | 436.554 | 8 | ↓ |
| Hi High (pH 8-9.5) | -4.83 | -6.87 | -88.1 | 12 | 12 | 2 | 208 | 434.538 | 7 | ↓ |
| Hi High (pH 8-9.5) | -4.77 | -6.9 | -88.86 | 12 | 12 | 2 | 206 | 434.538 | 8 | ↓ |
| Mid Mid (pH 6-8) | -4.83 | -6.58 | -163.72 | 13 | 12 | 3 | 210 | 435.546 | 7 | ↓ |
| Mid Mid (pH 6-8) | -4.77 | -6.6 | -163.61 | 13 | 12 | 3 | 207 | 435.546 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
