In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | 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) | 1.63 | 7.02 | -49.8 | 1 | 6 | -1 | 96 | 294.327 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.63 | 5.73 | -11.83 | 2 | 6 | 0 | 93 | 295.335 | 6 | ↓ |