In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 32 | Yes |
None
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) | 2.56 | 3.22 | -53.43 | 1 | 9 | -1 | 121 | 427.444 | 5 | ↓ |
Ref Reference (pH 7) | 2.38 | 5.95 | -48.64 | 1 | 9 | -1 | 118 | 427.444 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 5.11 | -13.29 | 2 | 9 | 0 | 118 | 428.452 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 7.77 | -12.82 | 2 | 9 | 0 | 115 | 428.452 | 5 | ↓ |