In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 36 | 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) | 4.33 | 13.05 | -15.87 | 2 | 9 | 0 | 103 | 482.544 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.50 | 13.21 | -39.24 | 3 | 9 | 1 | 108 | 483.552 | 7 | ↓ |