In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 31 | 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) | 1.16 | 7.18 | -55.31 | 2 | 8 | 1 | 77 | 428.557 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 4.66 | -22.51 | 1 | 8 | 0 | 76 | 427.549 | 6 | ↓ |