In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 15 | 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) | 2.82 | 6.32 | -37.14 | 0 | 2 | -1 | 31 | 194.213 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.82 | 6.73 | -24.76 | 1 | 2 | 0 | 33 | 195.221 | 1 | ↓ |