In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 30 | 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) | 2.79 | 12.03 | -56.9 | 1 | 6 | 0 | 74 | 406.482 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 11.26 | -41.97 | 2 | 6 | 1 | 71 | 407.49 | 8 | ↓ |