In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2009 | 36 | 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) | 3.40 | 12.53 | -80.09 | 1 | 8 | 0 | 93 | 494.588 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 11.25 | -63.25 | 2 | 8 | 1 | 90 | 495.596 | 13 | ↓ |