In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 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) | 2.12 | 6.4 | -107.92 | 4 | 2 | 2 | 33 | 200.37 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 4.99 | -40.03 | 3 | 2 | 1 | 29 | 199.362 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 5.15 | -36.26 | 3 | 2 | 1 | 29 | 199.362 | 7 | ↓ |