In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 29 | 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) | 3.32 | 8.64 | -41.04 | 3 | 5 | 1 | 55 | 396.555 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 9.67 | -126.03 | 4 | 5 | 2 | 59 | 397.563 | 8 | ↓ |