| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2006 | 30 | 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) | 1.73 | 7.06 | -57.72 | 0 | 7 | -1 | 92 | 407.446 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | -1.25 | -15.3 | 1 | 7 | 0 | 88 | 408.454 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | -1.34 | -23.61 | 0 | 7 | 0 | 85 | 408.454 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | -1.14 | -46.21 | 2 | 7 | 1 | 90 | 409.462 | 7 | ↓ |
