In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 1.91 | 9.03 | -78.07 | 3 | 9 | 1 | 101 | 536.697 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 9.4 | -118.47 | 4 | 9 | 2 | 102 | 537.705 | 8 | ↓ |