| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 32 | 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) | 2.05 | 9.63 | -60.43 | 0 | 7 | -1 | 92 | 427.436 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 7.12 | -30.15 | 1 | 7 | 0 | 89 | 428.444 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 8.14 | -25.34 | 0 | 7 | 0 | 86 | 428.444 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 7.75 | -47.08 | 2 | 7 | 1 | 90 | 429.452 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 8.43 | -59.5 | 1 | 7 | 1 | 87 | 429.452 | 5 | ↓ |
