In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 25 | No |
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) | 3.07 | 10.19 | -12.59 | 1 | 8 | 0 | 89 | 379.207 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 10.32 | -39.23 | 2 | 8 | 1 | 91 | 380.215 | 1 | ↓ |