In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 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) | 2.44 | -1.77 | -17.99 | 1 | 8 | 0 | 84 | 408.458 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | -1.63 | -51.93 | 2 | 8 | 1 | 85 | 409.466 | 6 | ↓ |