| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 34 | 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) | 3.51 | 10.18 | -61.16 | 0 | 7 | -1 | 92 | 457.506 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 8.62 | -21.08 | 1 | 7 | 0 | 89 | 458.514 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | -0.23 | -14.4 | 0 | 7 | 0 | 85 | 458.514 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.95 | 8.9 | -46.34 | 2 | 7 | 1 | 90 | 459.522 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | -0.12 | -43.92 | 1 | 7 | 1 | 87 | 459.522 | 9 | ↓ |
