In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 29 | 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) | 3.48 | 10.09 | -12.21 | 1 | 6 | 0 | 65 | 401.344 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.48 | 10.54 | -48.62 | 2 | 6 | 1 | 67 | 402.352 | 3 | ↓ |