| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | Yes |
| 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) | -0.20 | 4.55 | -97.1 | 2 | 7 | 2 | 64 | 345.513 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 2.14 | -16.15 | 0 | 7 | 0 | 62 | 343.497 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.20 | 2.29 | -36.65 | 1 | 7 | 1 | 63 | 344.505 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
