In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2005 | 39 | 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) | 5.81 | 3.32 | -11.83 | 0 | 5 | 0 | 53 | 525.737 | 13 | ↓ |
Lo Low (pH 4.5-6) | 5.81 | 3.44 | -45.29 | 1 | 5 | 1 | 54 | 526.745 | 13 | ↓ |