| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2010 | 38 | No |
| 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) | 3.18 | 6.4 | -59.14 | 1 | 9 | -1 | 112 | 523.606 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 8.67 | -70.59 | 2 | 9 | 0 | 113 | 524.614 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 7.91 | -48.64 | 3 | 9 | 1 | 110 | 525.622 | 12 | ↓ |
