In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2009 | 34 | 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) | 3.91 | 12.13 | -47.46 | 3 | 6 | 1 | 76 | 498.434 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 12.57 | -94.32 | 4 | 6 | 2 | 77 | 499.442 | 7 | ↓ |