In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 25 | No |
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) | 2.50 | 5.57 | -8.29 | 2 | 5 | 0 | 101 | 333.37 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 5.39 | -48.45 | 3 | 5 | 1 | 102 | 334.378 | 1 | ↓ |