In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 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) | 2.70 | 8.68 | -44.06 | 3 | 7 | 1 | 79 | 449.522 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.70 | 9.04 | -102.63 | 4 | 7 | 2 | 80 | 450.53 | 8 | ↓ |