In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2011 | 14 | 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) | 1.85 | 7.66 | -54.5 | 1 | 3 | 0 | 45 | 199.294 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 5.68 | -35.13 | 2 | 3 | 1 | 42 | 200.302 | 5 | ↓ |