In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 33 | 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) | 1.27 | 8.92 | -53.19 | 0 | 8 | -1 | 105 | 444.467 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 7.63 | -21.22 | 1 | 8 | 0 | 102 | 445.475 | 8 | ↓ |