In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 31 | 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) | 4.26 | 10.2 | -11.6 | 1 | 5 | 0 | 53 | 429.58 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | 12.05 | -47.91 | 2 | 5 | 1 | 54 | 430.588 | 6 | ↓ |