In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2009 | 9 | 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) | 0.76 | 3.98 | -41.9 | 2 | 2 | 1 | 40 | 127.211 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 2.78 | -5.48 | 1 | 2 | 0 | 36 | 126.203 | 4 | ↓ |