In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2007 | 27 | 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) | 4.18 | -3.17 | -11.67 | 3 | 5 | 0 | 80 | 394.887 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.18 | -3.05 | -40.43 | 4 | 5 | 1 | 82 | 395.895 | 3 | ↓ |