| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 33 | Yes |
None
| 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) | 3.58 | 8.56 | -14.34 | 2 | 7 | 0 | 91 | 438.487 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 9.66 | -41.97 | 1 | 7 | -1 | 94 | 437.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 9.33 | -54.12 | 1 | 7 | -1 | 94 | 437.479 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 9.12 | -41.69 | 3 | 7 | 1 | 93 | 439.495 | 7 | ↓ |
