| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2007 | 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) | 2.48 | 7.24 | -16.92 | 2 | 9 | 0 | 110 | 472.501 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 7.14 | -64.59 | 0 | 9 | -1 | 109 | 471.493 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 7.45 | -49.35 | 0 | 9 | -1 | 109 | 471.493 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.48 | 8.02 | -43.94 | 1 | 9 | -1 | 113 | 471.493 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 7.65 | -57.19 | 1 | 9 | -1 | 113 | 471.493 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 7.34 | -54.04 | 3 | 9 | 1 | 111 | 473.509 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 7.7 | -47.42 | 3 | 9 | 1 | 111 | 473.509 | 7 | ↓ |
