| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 19 | 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) | 2.93 | 9.03 | -36.91 | 2 | 2 | 1 | 16 | 277.457 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.93 | 6.8 | -2.45 | 1 | 2 | 0 | 15 | 276.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 9.86 | -124.08 | 3 | 2 | 2 | 21 | 278.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
