In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 15 | 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) | -0.82 | 4.13 | -66.13 | 3 | 5 | 0 | 88 | 216.281 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.82 | 3.79 | -51.53 | 2 | 5 | -1 | 86 | 215.273 | 7 | ↓ |