In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 35 | 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) | 0.97 | 6.5 | -22.52 | 1 | 9 | 0 | 99 | 475.501 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.97 | 6.78 | -45.31 | 2 | 9 | 1 | 100 | 476.509 | 5 | ↓ |