In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 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) | 2.00 | 8.03 | -62.47 | 3 | 6 | 1 | 79 | 486.434 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 8.49 | -112.19 | 4 | 6 | 2 | 80 | 487.442 | 4 | ↓ |