| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2011 | 38 | 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) | 6.03 | 3.13 | -59.11 | 4 | 8 | -1 | 147 | 511.506 | 1 | ↓ |
| Hi High (pH 8-9.5) | 6.03 | 3.9 | -99.14 | 3 | 8 | -2 | 150 | 510.498 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 6.03 | 2.46 | -22.58 | 5 | 8 | 0 | 145 | 512.514 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
