| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 19 | 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) | -0.12 | 4.99 | -85.04 | 3 | 5 | 2 | 41 | 268.405 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 2.64 | -37.67 | 2 | 5 | 1 | 40 | 267.397 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 0.13 | -7.92 | 1 | 5 | 0 | 39 | 266.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 1.31 | -43.43 | 2 | 5 | 1 | 43 | 267.397 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 6.16 | -180.26 | 4 | 5 | 3 | 46 | 269.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
