In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 14 | 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) | -0.59 | -1.93 | -38.59 | 3 | 4 | 1 | 43 | 202.322 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.59 | 0.42 | -85.23 | 4 | 4 | 2 | 45 | 203.33 | 6 | ↓ |