In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 38 | 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) | 3.49 | 8 | -64.78 | 1 | 9 | -1 | 118 | 524.59 | 13 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 7.26 | -20.8 | 2 | 9 | 0 | 115 | 525.598 | 13 | ↓ |