In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | 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) | 2.29 | 7.33 | -32.06 | 1 | 4 | -1 | 57 | 297.375 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 8.42 | -9.19 | 2 | 4 | 0 | 50 | 298.383 | 5 | ↓ |