| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 30 | 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) | 1.15 | 0.73 | -54.82 | 5 | 10 | 1 | 115 | 441.509 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 3.49 | -61.53 | 5 | 10 | 1 | 117 | 441.509 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 1.35 | -25.38 | 4 | 10 | 0 | 116 | 440.501 | 8 | ↓ |
| Mid Mid (pH 6-8) | -3.29 | -0.26 | -55.41 | 5 | 10 | 1 | 115 | 441.509 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 2.93 | -140.68 | 6 | 10 | 2 | 116 | 442.517 | 9 | ↓ |
| Lo Low (pH 4.5-6) | -3.29 | 0.06 | -138.8 | 6 | 10 | 2 | 117 | 442.517 | 8 | ↓ |
