In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | 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) | 1.24 | 2.33 | -26.92 | 3 | 4 | 1 | 58 | 225.312 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.24 | 1.84 | -7.64 | 2 | 4 | 0 | 57 | 224.304 | 7 | ↓ |