| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 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) | 1.81 | 5.2 | -44.48 | 2 | 2 | 1 | 20 | 243.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 3.84 | -3.61 | 1 | 2 | 0 | 15 | 242.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 5.94 | -39.12 | 2 | 2 | 1 | 16 | 243.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 7.29 | -124.92 | 3 | 2 | 2 | 21 | 244.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
