In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 39 | 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) | 4.09 | 15.41 | -73.57 | 1 | 9 | 0 | 101 | 534.657 | 13 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 14.1 | -57.42 | 2 | 9 | 1 | 98 | 535.665 | 13 | ↓ |