In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 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) | 4.76 | 13.53 | -25.35 | 0 | 5 | 0 | 55 | 502.036 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.76 | 13.99 | -62.03 | 1 | 5 | 1 | 57 | 503.044 | 9 | ↓ |