| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 27 | 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) | 4.04 | 6.05 | -9.55 | 1 | 5 | 0 | 54 | 389.565 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 6.44 | -34.78 | 2 | 5 | 1 | 56 | 390.573 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 8.28 | -40.92 | 2 | 5 | 1 | 56 | 390.573 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 8.67 | -86.01 | 3 | 5 | 2 | 57 | 391.581 | 4 | ↓ |
