In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 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) | 3.66 | 0.49 | -15.19 | 1 | 6 | 0 | 67 | 427.504 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.66 | 0.6 | -38.62 | 2 | 6 | 1 | 69 | 428.512 | 5 | ↓ |