| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 3rd, 2006 | 30 | 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) | 3.12 | 9.52 | -18.33 | 1 | 7 | 0 | 82 | 406.486 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 10.88 | -34.76 | 3 | 7 | 1 | 86 | 407.494 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 9.98 | -34 | 2 | 7 | 1 | 83 | 407.494 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 9.84 | -40.11 | 2 | 7 | 1 | 83 | 407.494 | 7 | ↓ |
