In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 37 | 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) | 4.41 | 14.64 | -21.62 | 1 | 7 | 0 | 76 | 498.627 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 15.06 | -36.95 | 2 | 7 | 1 | 78 | 499.635 | 10 | ↓ |