In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 7.04 | 14.83 | -63.85 | 0 | 5 | -1 | 70 | 503.018 | 10 | ↓ |
Lo Low (pH 4.5-6) | 7.04 | 14.07 | -16.3 | 1 | 5 | 0 | 67 | 504.026 | 10 | ↓ |