| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 31 | 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) | 3.14 | 7.84 | -15.24 | 1 | 6 | 0 | 66 | 429.398 | 4 | ↓ |
| Ref Reference (pH 7) | 3.14 | 7.6 | -13.33 | 1 | 6 | 0 | 66 | 429.398 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 10.02 | -58.17 | 2 | 6 | 1 | 67 | 430.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 10.02 | -59.67 | 2 | 6 | 1 | 67 | 430.406 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
