| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | 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) | 4.46 | 6.48 | -5.36 | 1 | 2 | 0 | 33 | 266.127 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 7.25 | -40.55 | 0 | 2 | -1 | 35 | 265.119 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.46 | 6.05 | -33.2 | 0 | 2 | -1 | 35 | 265.119 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.46 | 5.7 | -36.55 | 2 | 2 | 1 | 34 | 267.135 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.46 | 6.98 | -33.71 | 2 | 2 | 1 | 34 | 267.135 | 2 | ↓ |
