| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2010 | 23 | 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) | -1.12 | 1.25 | -169.08 | 7 | 6 | 3 | 62 | 329.557 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.12 | -2.53 | -35.55 | 5 | 6 | 1 | 59 | 327.541 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.12 | -4.06 | -1.29 | 4 | 6 | 0 | 55 | 326.533 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | -0.56 | -78.58 | 6 | 6 | 2 | 60 | 328.549 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | -2.2 | -32.99 | 5 | 6 | 1 | 56 | 327.541 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.12 | 0.01 | -84.65 | 6 | 6 | 2 | 57 | 328.549 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.12 | 2.45 | -269.44 | 8 | 6 | 4 | 66 | 330.565 | 6 | ↓ |
