In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 33 | Yes |
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) | 2.54 | 9.71 | -30.73 | 1 | 8 | 0 | 91 | 445.523 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | -0.3 | -59.09 | 2 | 8 | 1 | 91 | 446.531 | 8 | ↓ |