In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2005 | 16 | 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) | 0.22 | 5.77 | -106.28 | 3 | 3 | 2 | 34 | 219.332 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 2.7 | -43.02 | 2 | 3 | 1 | 33 | 218.324 | 2 | ↓ |