| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 25 | Yes |
| 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) | 4.05 | 11.53 | -15.01 | 0 | 5 | 0 | 52 | 397.276 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 12.63 | -31.72 | 2 | 5 | 1 | 57 | 398.284 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 12 | -31.6 | 1 | 5 | 1 | 54 | 398.284 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 11.84 | -39.02 | 1 | 5 | 1 | 54 | 398.284 | 3 | ↓ |
