In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 16 | 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) | 2.94 | 6.66 | -41.66 | 2 | 2 | 1 | 29 | 219.352 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.94 | 7.12 | -97.5 | 3 | 2 | 2 | 31 | 220.36 | 4 | ↓ |