In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 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) | 1.93 | 7.84 | -89.43 | 2 | 3 | 2 | 22 | 235.356 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.93 | 5.01 | -5.43 | 0 | 3 | 0 | 19 | 233.34 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 5.48 | -27.8 | 1 | 3 | 1 | 21 | 234.348 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 7.36 | -37.64 | 1 | 3 | 1 | 21 | 234.348 | 1 | ↓ |