In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 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) | 3.08 | 9.77 | -44.81 | 3 | 7 | 1 | 79 | 439.58 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 10.12 | -98.83 | 4 | 7 | 2 | 80 | 440.588 | 9 | ↓ |