In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 31 | 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) | 2.76 | 7.7 | -13.37 | 1 | 7 | 0 | 71 | 427.545 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 9.62 | -49.74 | 2 | 7 | 1 | 72 | 428.553 | 6 | ↓ |