| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 32 | 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) | 1.91 | 6.77 | -96.53 | 3 | 8 | 2 | 79 | 447.624 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 2.32 | -8.42 | 1 | 8 | 0 | 76 | 445.608 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 4.61 | -46.92 | 2 | 8 | 1 | 77 | 446.616 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 4.48 | -38.95 | 2 | 8 | 1 | 77 | 446.616 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.7 | -91.06 | 3 | 8 | 2 | 79 | 447.624 | 9 | ↓ |
