| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 37 | 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) | 3.11 | 15.09 | -23.5 | 0 | 7 | 0 | 59 | 490.611 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 17.29 | -66.31 | 1 | 7 | 1 | 60 | 491.619 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 15.49 | -45.35 | 1 | 7 | 1 | 60 | 491.619 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 18.05 | -188.39 | 3 | 7 | 3 | 63 | 493.635 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 17.8 | -105.71 | 2 | 7 | 2 | 62 | 492.627 | 7 | ↓ |
