In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2004 | 30 | 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) | 6.16 | 13.19 | -11.27 | 1 | 5 | 0 | 65 | 450 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.35 | 11.32 | -45.32 | 0 | 5 | -1 | 71 | 448.992 | 7 | ↓ |