| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 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) | -0.84 | 1.9 | -56.41 | 3 | 5 | 1 | 78 | 302.445 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.84 | 1.58 | -15.47 | 2 | 5 | 0 | 76 | 301.437 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.84 | 2.23 | -109.89 | 4 | 5 | 2 | 79 | 303.453 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
