In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 35 | 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) | -3.26 | 0.38 | -80.47 | 7 | 13 | 0 | 204 | 498.581 | 12 | ↓ |
Hi High (pH 8-9.5) | -3.26 | 0.76 | -54.85 | 6 | 13 | -1 | 203 | 497.573 | 12 | ↓ |