In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 2008 | 23 | 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) | 2.04 | 3.82 | -57.14 | 1 | 8 | -1 | 116 | 334.248 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.04 | 4.2 | -56.45 | 2 | 8 | 0 | 118 | 335.256 | 2 | ↓ |