In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 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) | 3.05 | 7.97 | -46.29 | 1 | 4 | -1 | 77 | 333.448 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 6.05 | -7.47 | 2 | 4 | 0 | 75 | 334.456 | 5 | ↓ |