In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2007 | 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) | 5.45 | -0.35 | -16.5 | 0 | 4 | 0 | 46 | 488.465 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.45 | -0.24 | -50.18 | 1 | 4 | 1 | 47 | 489.473 | 7 | ↓ |