In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 35 | 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) | 5.26 | 2.1 | -13.85 | 0 | 6 | 0 | 72 | 460.489 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.26 | 2.31 | -36.27 | 1 | 6 | 1 | 73 | 461.497 | 5 | ↓ |