In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 18 | 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) | 2.14 | 5.77 | -11.42 | 1 | 4 | 0 | 53 | 244.294 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 5.66 | -43.63 | 0 | 4 | -1 | 56 | 243.286 | 3 | ↓ |