In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 32 | 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) | 0.63 | 13.19 | -175.15 | 1 | 11 | -3 | 193 | 457.452 | 18 | ↓ |
Lo Low (pH 4.5-6) | 0.63 | 11.16 | -102.58 | 2 | 11 | -2 | 190 | 458.46 | 18 | ↓ |