| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 31 | No |
| 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) | 3.00 | 8.35 | -16.17 | 1 | 8 | 0 | 100 | 429.509 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 8.76 | -37.99 | 2 | 8 | 1 | 101 | 430.517 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 8.74 | -95.83 | 3 | 8 | 2 | 103 | 431.525 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.00 | 8.33 | -41.04 | 2 | 8 | 1 | 101 | 430.517 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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