| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 29 | 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) | 0.53 | 9.88 | -106.24 | 2 | 7 | 0 | 91 | 407.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 8.64 | -66.96 | 1 | 7 | -1 | 87 | 406.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.53 | 7.86 | -59.67 | 3 | 7 | 1 | 88 | 408.425 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -2.22 | 8.59 | -82.86 | 3 | 7 | 1 | 94 | 408.425 | 4 | ↓ |
