In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 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) | -0.17 | 5.08 | -30.35 | 1 | 4 | 0 | 48 | 202.298 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.17 | 6.02 | -58.76 | 1 | 4 | 0 | 48 | 202.298 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.17 | 7.57 | -85.33 | 2 | 4 | 1 | 49 | 203.306 | 7 | ↓ |