| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 27 | Yes |
| 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) | 1.63 | 9.36 | -14.06 | 0 | 5 | 0 | 81 | 369.461 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 10.11 | -115.13 | 0 | 5 | -2 | 93 | 367.445 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 8.59 | -40.44 | 1 | 5 | -1 | 90 | 368.453 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 7.62 | -37.95 | 1 | 5 | -1 | 90 | 368.453 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 9.79 | -42.33 | 0 | 5 | -1 | 87 | 368.453 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.22 | 10.43 | -38.56 | 0 | 5 | -1 | 87 | 368.453 | 3 | ↓ |
