In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 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) | 2.87 | 7.22 | -102.57 | 4 | 4 | 2 | 58 | 408.134 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.87 | 4.89 | -44.29 | 3 | 4 | 1 | 57 | 407.126 | 8 | ↓ |