In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 33 | 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) | 4.01 | 12.98 | -17.55 | 1 | 6 | 0 | 67 | 444.579 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 13.16 | -31.69 | 2 | 6 | 1 | 68 | 445.587 | 8 | ↓ |