| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 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) | 4.14 | 11.32 | -62.6 | 0 | 5 | -1 | 73 | 431.537 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 11.19 | -21.99 | 1 | 5 | 0 | 71 | 432.545 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 11.54 | -12.55 | 0 | 5 | 0 | 67 | 432.545 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.59 | 11.47 | -45.36 | 2 | 5 | 1 | 72 | 433.553 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 11.82 | -41.42 | 1 | 5 | 1 | 69 | 433.553 | 6 | ↓ |
