| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 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) | 1.52 | 5.45 | -61.7 | 0 | 8 | -1 | 95 | 436.488 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 7.81 | -49.9 | 2 | 8 | 1 | 93 | 438.504 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 8.01 | -47.32 | 1 | 8 | 1 | 90 | 438.504 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 7.78 | -75.3 | 1 | 8 | 0 | 96 | 437.496 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 8.53 | -107.47 | 3 | 8 | 2 | 95 | 439.512 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 8.74 | -112.07 | 2 | 8 | 2 | 91 | 439.512 | 8 | ↓ |
