| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | No |
None
None
| 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) | 1.40 | 3.9 | -40.75 | 3 | 7 | 1 | 91 | 396.467 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 2.21 | -50.27 | 1 | 7 | -1 | 93 | 394.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 4.47 | -30.48 | 2 | 7 | 0 | 94 | 395.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 3.97 | -42.22 | 3 | 7 | 1 | 91 | 396.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 1.64 | -12.64 | 2 | 7 | 0 | 90 | 395.459 | 5 | ↓ |
