In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | 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) | 1.52 | 1.59 | -39.05 | 5 | 5 | 1 | 91 | 280.392 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 1.26 | -11.13 | 4 | 5 | 0 | 89 | 279.384 | 4 | ↓ |