| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2008 | 15 | 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) | -0.62 | 1.56 | -6.73 | 2 | 4 | 0 | 70 | 202.213 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.62 | 1.7 | -8.4 | 1 | 4 | 0 | 68 | 201.205 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.29 | 0.67 | -34.55 | 4 | 4 | 1 | 75 | 203.221 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 1.56 | -8.41 | 2 | 4 | 0 | 70 | 202.213 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | -1 | -107.49 | 5 | 4 | 2 | 80 | 204.229 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
