In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 16 | Yes |
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) | 1.73 | 6.64 | -52.66 | 0 | 3 | -1 | 53 | 218.207 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 7.03 | -53.81 | 1 | 3 | 0 | 54 | 219.215 | 1 | ↓ |