In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2011 | 30 | 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) | 6.09 | 12.3 | -140.89 | 2 | 6 | -2 | 121 | 426.594 | 22 | ↓ |
Lo Low (pH 4.5-6) | 6.09 | 10.2 | -53.53 | 3 | 6 | -1 | 118 | 427.602 | 22 | ↓ |