In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2006 | 28 | 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) | 6.60 | 14.24 | -9.53 | 1 | 2 | 0 | 29 | 360.46 | 3 | ↓ |
Lo Low (pH 4.5-6) | 6.60 | 14.38 | -26.81 | 2 | 2 | 1 | 30 | 361.468 | 3 | ↓ |