In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 36 | 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) | 2.06 | 12.21 | -50.81 | 2 | 9 | 1 | 92 | 495.648 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 9.89 | -51.69 | 1 | 9 | 0 | 98 | 494.64 | 9 | ↓ |