| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 25 | Yes |
| 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) | -2.18 | -0.18 | -32.49 | 2 | 7 | 1 | 78 | 344.391 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 1.56 | -10.63 | 1 | 7 | 0 | 75 | 343.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.18 | 0.59 | -16.72 | 1 | 7 | 0 | 80 | 343.383 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.18 | 2.19 | -99.93 | 3 | 7 | 2 | 79 | 345.399 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
