| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | 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) | -2.25 | -2.43 | -52.16 | 3 | 8 | 0 | 96 | 341.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | -2.25 | -0.15 | -160.71 | 4 | 8 | 0 | 97 | 342.44 | 9 | ↓ |
| Mid Mid (pH 6-8) | -2.25 | -2.42 | -58.86 | 3 | 8 | 0 | 96 | 341.432 | 9 | ↓ |
| Mid Mid (pH 6-8) | -2.25 | -0.12 | -127.12 | 4 | 8 | 0 | 97 | 342.44 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
