In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2009 | 39 | 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) | 5.53 | 13.41 | -54.83 | 0 | 8 | -1 | 97 | 538.661 | 17 | ↓ |
Lo Low (pH 4.5-6) | 5.53 | 12.11 | -19.55 | 1 | 8 | 0 | 95 | 539.669 | 17 | ↓ |