In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 34 | No |
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) | 4.45 | 12.24 | -17.32 | 1 | 5 | 0 | 62 | 494.06 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.45 | 12.67 | -49.15 | 2 | 5 | 1 | 64 | 495.068 | 6 | ↓ |