In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 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) | 2.94 | 8.87 | -80.5 | 2 | 3 | 2 | 12 | 281.488 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 6.32 | -34.77 | 1 | 3 | 1 | 11 | 280.48 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 8.56 | -103.04 | 2 | 3 | 2 | 12 | 281.488 | 3 | ↓ |