| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 35 | 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) | 4.14 | 14.19 | -198.34 | 4 | 7 | 3 | 62 | 525.545 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 8.25 | -8.9 | 1 | 7 | 0 | 55 | 522.521 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.14 | 9.6 | -56.09 | 2 | 7 | 1 | 60 | 523.529 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 12.83 | -92.8 | 3 | 7 | 2 | 58 | 524.537 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 11.97 | -109.14 | 3 | 7 | 2 | 61 | 524.537 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.14 | 11.82 | -130.53 | 3 | 7 | 2 | 61 | 524.537 | 9 | ↓ |
