In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | 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) | 2.79 | 4.91 | -43.01 | 3 | 3 | 1 | 40 | 289.443 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 6.83 | -112.98 | 4 | 3 | 2 | 41 | 290.451 | 4 | ↓ |