| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 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 | 10.09 | -32.72 | 1 | 6 | 0 | 66 | 417.509 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 7.76 | -45.34 | 0 | 6 | -1 | 65 | 416.501 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 6.97 | -14.21 | 1 | 6 | 0 | 62 | 417.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 10.13 | -59.09 | 1 | 6 | 0 | 66 | 417.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 9.34 | -49.39 | 2 | 6 | 1 | 63 | 418.517 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.42 | 9.3 | -48.03 | 2 | 6 | 1 | 63 | 418.517 | 4 | ↓ |
