| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2009 | 31 | 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) | 0.36 | -0.55 | -57.44 | 3 | 9 | -1 | 145 | 430.433 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | -3.64 | -136.69 | 2 | 9 | -2 | 152 | 429.425 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | -2.94 | -252.59 | 1 | 9 | -3 | 154 | 428.417 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | -4.19 | -66.24 | 3 | 9 | -1 | 149 | 430.433 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | -3.48 | -150.53 | 2 | 9 | -2 | 152 | 429.425 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | -1.27 | -18.59 | 4 | 9 | 0 | 142 | 431.441 | 7 | ↓ |
