| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 31 | 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 | 11.51 | -70.5 | 1 | 6 | 0 | 74 | 487.394 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 8.97 | -53.8 | 0 | 6 | -1 | 73 | 486.386 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.43 | 11.18 | -45.04 | 2 | 6 | 1 | 71 | 488.402 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 11.19 | -48.55 | 1 | 6 | 1 | 68 | 488.402 | 8 | ↓ |
