In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 24 | 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) | 3.41 | 5.39 | -7.92 | 3 | 4 | 0 | 68 | 371.409 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.41 | 5.64 | -37.81 | 4 | 4 | 1 | 69 | 372.417 | 4 | ↓ |