In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 30 | 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) | 4.99 | 10.2 | -48.36 | 0 | 5 | -1 | 70 | 430.883 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.99 | 9.45 | -10.26 | 1 | 5 | 0 | 67 | 431.891 | 7 | ↓ |