In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 24 | 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) | 1.64 | 2.67 | -10.7 | 3 | 7 | 0 | 105 | 332.356 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 3.31 | -33.12 | 4 | 7 | 1 | 109 | 333.364 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 3.3 | -33.84 | 4 | 7 | 1 | 109 | 333.364 | 3 | ↓ |