| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2006 | 30 | No |
None
| 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) | 4.11 | 6.73 | -11.06 | 3 | 6 | 0 | 97 | 394.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 6.06 | -10.34 | 3 | 6 | 0 | 97 | 394.434 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 6.99 | -57.95 | 4 | 6 | 1 | 99 | 395.442 | 3 | ↓ |
