In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 30 | No |
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) | 2.54 | 9 | -54.57 | 0 | 6 | -1 | 86 | 439.278 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | 7.7 | -22.72 | 1 | 6 | 0 | 83 | 440.286 | 5 | ↓ |