In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 32 | 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) | 3.78 | 12.03 | -22.65 | 1 | 7 | 0 | 76 | 436.556 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.78 | 12.47 | -36.76 | 2 | 7 | 1 | 78 | 437.564 | 10 | ↓ |