| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2011 | 43 | 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) | 5.64 | 15.68 | -52.51 | 3 | 8 | 1 | 91 | 607.682 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.64 | 13.33 | -16.15 | 2 | 8 | 0 | 90 | 606.674 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.64 | 13.68 | -42.78 | 3 | 8 | 1 | 91 | 607.682 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.64 | 16.04 | -109.24 | 4 | 8 | 2 | 92 | 608.69 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.64 | 16.52 | -170.38 | 5 | 8 | 3 | 93 | 609.698 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
