In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2008 | 27 | 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) | 1.70 | 9.34 | -93.45 | 3 | 6 | 2 | 64 | 369.513 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.70 | 9.62 | -154.88 | 4 | 6 | 3 | 65 | 370.521 | 7 | ↓ |