In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 34 | 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) | 2.80 | 9.58 | -56.48 | 0 | 8 | -1 | 101 | 467.542 | 13 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 8.29 | -22.91 | 1 | 8 | 0 | 98 | 468.55 | 13 | ↓ |