In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2009 | 30 | 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) | 2.93 | 10.74 | -51.45 | 1 | 5 | 1 | 45 | 420.455 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 8.35 | -15.11 | 0 | 5 | 0 | 44 | 419.447 | 6 | ↓ |