In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 36 | 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) | 3.12 | 6.43 | -65.65 | 1 | 9 | -1 | 118 | 498.552 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 5.65 | -22.72 | 2 | 9 | 0 | 115 | 499.56 | 13 | ↓ |