In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2011 | 18 | 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) | 1.87 | 6.1 | -4.58 | 3 | 4 | 0 | 62 | 247.342 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 5.15 | -31.54 | 4 | 4 | 1 | 63 | 248.35 | 2 | ↓ |