| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 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) | 3.11 | 3.42 | -48.49 | 2 | 4 | -1 | 81 | 255.249 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 4.22 | -93.82 | 1 | 4 | -2 | 83 | 254.241 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 4.22 | -120.36 | 1 | 4 | -2 | 83 | 254.241 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 5.01 | -175.03 | 0 | 4 | -3 | 86 | 253.233 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 3.3 | -24.74 | 2 | 4 | 0 | 75 | 256.257 | 4 | ↓ |
