In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | 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) | 6.05 | 10.31 | -35.67 | 2 | 1 | 1 | 17 | 347.356 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.05 | 9.3 | -2.02 | 1 | 1 | 0 | 12 | 346.348 | 3 | ↓ |