| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 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) | 1.64 | 7.48 | -12.21 | 2 | 10 | 0 | 111 | 430.509 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 6.01 | -57.41 | 1 | 10 | -1 | 117 | 429.501 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 9.75 | -51.65 | 3 | 10 | 1 | 112 | 431.517 | 7 | ↓ |
