In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 32 | 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) | 1.41 | 9.46 | -69.53 | 1 | 8 | 0 | 96 | 439.512 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.41 | 8.17 | -54.81 | 2 | 8 | 1 | 93 | 440.52 | 10 | ↓ |