In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 14th, 2007 | 33 | 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) | 4.50 | 7.17 | -11.09 | 3 | 7 | 0 | 106 | 438.487 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.50 | 7.5 | -56.99 | 4 | 7 | 1 | 108 | 439.495 | 5 | ↓ |