In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2006 | 29 | 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) | 4.02 | 12.12 | -17.69 | 1 | 6 | 0 | 73 | 385.471 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.02 | 11.9 | -40.55 | 2 | 6 | 1 | 74 | 386.479 | 4 | ↓ |