In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 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) | 1.74 | 6.63 | -63.4 | 7 | 10 | 1 | 143 | 426.501 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 7.03 | -111.78 | 8 | 10 | 2 | 145 | 427.509 | 7 | ↓ |