| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 32 | 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) | 3.08 | 5.17 | -15.27 | 3 | 8 | 0 | 108 | 437.496 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.52 | -61.88 | 1 | 8 | -1 | 107 | 436.488 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.75 | -48.54 | 1 | 8 | -1 | 107 | 436.488 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 6.19 | -47.12 | 2 | 8 | -1 | 111 | 436.488 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 5.94 | -55.4 | 2 | 8 | -1 | 111 | 436.488 | 8 | ↓ |
