| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 32 | 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) | 3.79 | 11.02 | -32.39 | 1 | 6 | 0 | 66 | 431.536 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 8.7 | -45.08 | 0 | 6 | -1 | 65 | 430.528 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 8.07 | -12.79 | 1 | 6 | 0 | 62 | 431.536 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 11.08 | -58.8 | 1 | 6 | 0 | 66 | 431.536 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 10.44 | -52.73 | 2 | 6 | 1 | 63 | 432.544 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 10.4 | -57.17 | 2 | 6 | 1 | 63 | 432.544 | 5 | ↓ |
