| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 28 | 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) | 1.95 | 2.18 | -10.49 | 2 | 7 | 0 | 91 | 386.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 4.23 | -52.75 | 3 | 7 | 1 | 92 | 387.435 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.04 | -71.69 | 2 | 7 | 0 | 95 | 386.427 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 2.99 | -52.59 | 1 | 7 | -1 | 94 | 385.419 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 8.09 | -60.6 | 3 | 7 | 1 | 97 | 387.435 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 6.07 | -62.02 | 4 | 7 | 0 | 94 | 388.443 | 3 | ↓ |
