| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 29 | 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) | 1.55 | 7.74 | -70.88 | 1 | 7 | 0 | 87 | 395.459 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 5.2 | -56.93 | 0 | 7 | -1 | 86 | 394.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 7.64 | -46.03 | 2 | 7 | 1 | 84 | 396.467 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 7.94 | -109.75 | 3 | 7 | 2 | 85 | 397.475 | 6 | ↓ |
