In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 24 | 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) | 2.88 | 6.76 | -10.39 | 1 | 5 | 0 | 58 | 347.484 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.88 | 8.68 | -49.67 | 2 | 5 | 1 | 59 | 348.492 | 2 | ↓ |