In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 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) | 2.12 | 7.51 | -60.55 | 3 | 7 | 1 | 84 | 418.606 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 7.65 | -100.13 | 4 | 7 | 2 | 85 | 419.614 | 8 | ↓ |