| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 36 | 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) | 2.20 | 5.23 | -53.21 | 1 | 10 | -1 | 144 | 535.668 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 5.31 | -220.92 | 0 | 10 | -3 | 152 | 533.652 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 4.59 | -25.66 | 1 | 10 | 0 | 144 | 535.668 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 5.65 | -110.21 | 1 | 10 | -2 | 150 | 534.66 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 4.88 | -48.67 | 1 | 10 | -1 | 144 | 535.668 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 5.18 | -24.69 | 2 | 10 | 0 | 142 | 536.676 | 7 | ↓ |
