In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | 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) | 2.44 | 6.1 | -9.72 | 2 | 3 | 0 | 42 | 237.372 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 6.58 | -38.01 | 3 | 3 | 1 | 43 | 238.38 | 5 | ↓ |