| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | 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) | 3.72 | 9.77 | -15.55 | 1 | 4 | 0 | 47 | 321.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | -0.69 | -35.69 | 2 | 4 | 1 | 48 | 322.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 10.31 | -35.9 | 2 | 4 | 1 | 48 | 322.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 8.14 | -40.51 | 2 | 4 | 1 | 52 | 322.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 7.62 | -25.72 | 2 | 4 | 1 | 52 | 322.432 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 8.99 | -91.56 | 3 | 4 | 2 | 53 | 323.44 | 6 | ↓ |
