In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 31 | 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) | 3.12 | 7.13 | -13.15 | 2 | 7 | 0 | 119 | 417.513 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 6.98 | -54.2 | 3 | 7 | 1 | 121 | 418.521 | 5 | ↓ |