| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | 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) | 0.06 | 6.8 | -68.57 | 1 | 8 | 0 | 96 | 383.452 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.06 | 4.25 | -59.15 | 0 | 8 | -1 | 94 | 382.444 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 5.69 | -63.46 | 2 | 8 | 1 | 93 | 384.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.53 | 6.65 | -56.72 | 1 | 8 | 1 | 90 | 384.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 6.41 | -123.41 | 3 | 8 | 2 | 94 | 385.468 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.53 | 7.37 | -113.88 | 2 | 8 | 2 | 91 | 385.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.06 | 7.6 | -91.18 | 2 | 8 | 1 | 97 | 384.46 | 6 | ↓ |
