In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 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) | 2.53 | 8.58 | -13.06 | 1 | 8 | 0 | 84 | 411.389 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 9.06 | -49.91 | 2 | 8 | 1 | 85 | 412.397 | 4 | ↓ |