In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 14 | 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) | 0.44 | 2.82 | -92.37 | 4 | 3 | 2 | 35 | 199.342 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 0.58 | -43.41 | 3 | 3 | 1 | 34 | 198.334 | 3 | ↓ |