| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 30 | 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) | 3.99 | 6.2 | -12.56 | 1 | 8 | 0 | 94 | 487.13 | 4 | ↓ |
| Ref Reference (pH 7) | 3.99 | 6.61 | -14.31 | 1 | 8 | 0 | 94 | 487.13 | 4 | ↓ |
| Ref Reference (pH 7) | 3.99 | 7.22 | -17.93 | 1 | 8 | 0 | 94 | 487.13 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.91 | 5.68 | -127.32 | 1 | 8 | -2 | 111 | 485.114 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 5.26 | -59.21 | 2 | 8 | 1 | 96 | 488.138 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 4.16 | -18.26 | 3 | 8 | 0 | 105 | 487.13 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 4.92 | -50.27 | 2 | 8 | -1 | 108 | 486.122 | 4 | ↓ |
