In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 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) | 3.75 | 12.27 | -26.02 | 1 | 9 | 0 | 103 | 506.584 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.75 | 13.02 | -91.52 | 2 | 9 | 0 | 104 | 507.592 | 10 | ↓ |