| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 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) | 3.42 | 10.37 | -32.53 | 1 | 6 | 0 | 66 | 417.509 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 8.03 | -44.96 | 0 | 6 | -1 | 65 | 416.501 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 10.5 | -52.78 | 1 | 6 | 0 | 66 | 417.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 9.87 | -53.38 | 2 | 6 | 1 | 63 | 418.517 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.55 | -10.89 | 1 | 6 | 0 | 62 | 417.509 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 9.75 | -56.99 | 2 | 6 | 1 | 63 | 418.517 | 4 | ↓ |
