In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2004 | 25 | 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) | 3.98 | 7.87 | -13.86 | 1 | 5 | 0 | 62 | 351.431 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.98 | 8.26 | -40.39 | 2 | 5 | 1 | 64 | 352.439 | 1 | ↓ |