| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2009 | 27 | 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) | 1.91 | 6.01 | -45.08 | 2 | 6 | 1 | 71 | 366.441 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.22 | -41.43 | 0 | 6 | -1 | 73 | 364.425 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 5.93 | -43.63 | 2 | 6 | 1 | 71 | 366.441 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 3.65 | -9.19 | 1 | 6 | 0 | 70 | 365.433 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.48 | -79.96 | 3 | 6 | 2 | 72 | 367.449 | 3 | ↓ |
