In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 31 | 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) | 4.34 | 12.59 | -50.92 | 2 | 4 | 1 | 36 | 409.557 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 10.28 | -7.39 | 1 | 4 | 0 | 35 | 408.549 | 4 | ↓ |